UCSF

ZINC29318120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 23 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) 4.34 11.82 -35.17 2 3 1 43 312.433 8
Mid Mid (pH 6-8) 4.34 10.65 -3.93 1 3 0 38 311.425 8

Activity (Go SEA)

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