UCSF

ZINC36842686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 4.03 7.85 -46.01 2 2 1 20 293.862 5
Mid Mid (pH 6-8) 4.03 8.96 -33.58 2 2 1 16 293.862 5
Mid Mid (pH 6-8) 4.03 10.18 -118.8 3 2 2 21 294.87 5

Activity (Go SEA)

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