UCSF

ZINC04624971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 17 Yes

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) 1.42 -4.08 -47.83 0 7 -1 93 233.207 3

Activity (Go SEA)

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