UCSF

ZINC41503767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 14 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) 0.44 1.7 -9.74 0 4 0 36 211.29 1
Mid Mid (pH 6-8) 0.44 4.04 -39.9 1 4 1 38 212.298 1

Activity (Go SEA)

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