UCSF

ZINC45624292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.55 6.18 -14.74 2 4 0 59 348.244 4
Lo Low (pH 4.5-6) 1.55 6.65 -36.96 3 4 1 60 349.252 4

Activity (Go SEA)

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