UCSF

ZINC23066422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.51 3.3 -100.54 4 5 2 54 285.432 3
Hi High (pH 8-9.5) 0.51 0.99 -44.63 3 5 1 53 284.424 3
Mid Mid (pH 6-8) 0.51 2.96 -125.93 4 5 2 54 285.432 3

Activity (Go SEA)

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