UCSF

ZINC60612980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 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) 1.87 4.95 -12.47 0 5 0 41 306.416 1
Mid Mid (pH 6-8) 1.87 7.3 -49.69 1 5 1 42 307.424 1

Activity (Go SEA)

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