UCSF

ZINC60194011

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 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) 3.15 7.21 -115.36 5 3 2 53 300.446 8
Mid Mid (pH 6-8) 3.15 6.1 -41.58 4 3 1 49 299.438 8

Activity (Go SEA)

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