UCSF

ZINC50345692

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 19 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) 3.20 8.21 -120.54 4 2 2 32 262.441 4
Mid Mid (pH 6-8) 3.20 6.04 -45.02 3 2 1 31 261.433 4
Mid Mid (pH 6-8) 3.20 7.87 -33.69 3 2 1 30 261.433 4

Activity (Go SEA)

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