UCSF

ZINC34988983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.41 7.88 -39.56 1 2 1 22 210.272 5
Hi High (pH 8-9.5) 2.41 5.86 -6.56 0 2 0 20 209.264 5

Activity (Go SEA)

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