UCSF

ZINC34884701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 3.30 7.44 -54.19 0 7 -1 90 368.365 6
Lo Low (pH 4.5-6) 3.30 7.76 -47.46 1 7 0 91 369.373 6

Activity (Go SEA)

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