UCSF

ZINC23193932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 30 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) 3.24 10.74 -51.76 2 6 1 55 422.578 7
Mid Mid (pH 6-8) 3.24 8.42 -12.56 1 6 0 53 421.57 7

Activity (Go SEA)

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