UCSF

ZINC34559310

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 0.45 6.46 -14.3 0 6 0 73 271.313 8
Lo Low (pH 4.5-6) 0.45 8.61 -54.99 1 6 1 74 272.321 8

Activity (Go SEA)

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