UCSF

ZINC37253583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 27 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) -3.89 -3.54 -98.53 10 12 1 215 382.401 7
Lo Low (pH 4.5-6) -3.89 -3.07 -136.59 11 12 2 216 383.409 7

Activity (Go SEA)

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