UCSF

ZINC41664745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.23 2.42 -6.08 3 6 0 91 246.27 4
Mid Mid (pH 6-8) 1.69 0.76 -36.99 2 6 -1 94 245.262 4

Activity (Go SEA)

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