UCSF

ZINC37394386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.45 8.22 -8.6 1 3 0 38 267.328 5
Mid Mid (pH 6-8) 3.45 9.39 -41.23 2 3 1 43 268.336 5

Activity (Go SEA)

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