UCSF

ZINC37808994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.18 0.19 -60.68 3 7 1 89 305.424 3
Mid Mid (pH 6-8) -0.18 0.08 -13.17 2 7 0 87 304.416 3

Activity (Go SEA)

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