UCSF

ZINC36810117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 2.45 6.18 -31.85 2 2 1 16 223.384 1
Mid Mid (pH 6-8) 2.45 5.73 -37.68 2 2 1 20 223.384 1
Mid Mid (pH 6-8) 2.45 7.53 -102.95 3 2 2 21 224.392 1

Activity (Go SEA)

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