UCSF

ZINC34939789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) -0.86 -0.17 -46.85 3 5 1 60 242.343 2
Lo Low (pH 4.5-6) -0.86 2.17 -108.67 4 5 2 62 243.351 2

Activity (Go SEA)

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