UCSF

ZINC24876494

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 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) 2.12 7.49 -12.71 0 6 0 72 348.406 3
Lo Low (pH 4.5-6) 2.12 7.93 -46.73 1 6 1 73 349.414 3

Activity (Go SEA)

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