UCSF

ZINC70514047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.18 5.95 -100.31 4 4 2 51 286.46 9
Hi High (pH 8-9.5) 2.18 6.08 -28.07 3 4 1 46 285.452 9
Mid Mid (pH 6-8) 2.18 3.96 -27.63 3 4 1 49 285.452 9

Activity (Go SEA)

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