UCSF

ZINC38478225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 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) 3.18 10.37 -123.46 3 2 2 21 268.404 4
Hi High (pH 8-9.5) 3.18 6.99 -3.52 1 2 0 15 266.388 4
Mid Mid (pH 6-8) 3.18 8.11 -37.96 2 2 1 20 267.396 4

Activity (Go SEA)

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