UCSF

ZINC08792300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 34 No

Download: MOL2 SDF SMILES Flexibase

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) 4.30 11.14 -50.68 2 7 1 83 458.538 8
Mid Mid (pH 6-8) 4.30 10.71 -19.69 1 7 0 82 457.53 8

Activity (Go SEA)

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