UCSF

ZINC44813261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) 3.03 8.12 -8.18 0 4 0 57 287.407 8
Lo Low (pH 4.5-6) 3.03 8.53 -35.57 1 4 1 58 288.415 8

Activity (Go SEA)

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