UCSF

ZINC34990922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.52 2.47 -43.06 3 4 1 55 305.192 7
Hi High (pH 8-9.5) 1.52 1.11 -7.52 2 4 0 51 304.184 7

Activity (Go SEA)

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