UCSF

ZINC37820619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.67 3.65 -48.12 3 5 1 60 298.451 7
Mid Mid (pH 6-8) 0.67 5.6 -93.22 4 5 2 62 299.459 7

Activity (Go SEA)

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