UCSF

ZINC29239702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 22 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 5.97 -56.11 2 4 1 51 300.378 0

Activity (Go SEA)

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