UCSF

ZINC36625112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.29 8.48 -44.78 2 4 1 37 276.404 2
Mid Mid (pH 6-8) 3.29 6.11 -8.16 1 4 0 36 275.396 2

Activity (Go SEA)

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