UCSF

ZINC36907945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 3.71 7.04 -34.05 2 2 1 20 253.454 2
Mid Mid (pH 6-8) 3.71 8.34 -30.81 2 2 1 16 253.454 2

Activity (Go SEA)

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