UCSF

ZINC58970692

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2011 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) 0.15 4.45 -37.09 1 4 1 28 228.36 4
Mid Mid (pH 6-8) 0.15 4.37 -39.05 1 4 1 28 228.36 4
Lo Low (pH 4.5-6) 0.15 6.81 -101.52 2 4 2 29 229.368 4

Activity (Go SEA)

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