UCSF

ZINC06476382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 2.51 -35.55 3 6 1 89 304.351 4
Hi High (pH 8-9.5) 1.83 2.65 -45.68 1 6 -1 93 302.335 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )