UCSF

ZINC34975123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) -0.88 0.3 -57.46 3 4 1 71 242.32 1
Mid Mid (pH 6-8) -0.88 0.29 -10.67 2 4 0 69 241.312 1

Activity (Go SEA)

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