UCSF

ZINC45662607

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 1.94 3.84 -46.23 3 4 1 53 267.393 4
Lo Low (pH 4.5-6) 1.94 5.55 -113.62 4 4 2 54 268.401 4

Activity (Go SEA)

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