UCSF

ZINC39128305

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 0.81 0.87 -43.2 1 4 -1 73 172.547 1
Mid Mid (pH 6-8) 0.81 1.63 -97.08 0 4 -2 76 171.539 1

Activity (Go SEA)

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