UCSF

ZINC37217386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 4.32 9.85 -36.48 2 2 1 16 291.434 5
Lo Low (pH 4.5-6) 4.32 10.83 -113.19 3 2 2 21 292.442 5

Activity (Go SEA)

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