UCSF

ZINC43966870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 1.58 4.7 -27.98 2 3 1 29 215.361 7
Hi High (pH 8-9.5) 1.58 3.64 -1.67 1 3 0 24 214.353 7
Mid Mid (pH 6-8) 1.58 6.05 -101.3 3 3 2 30 216.369 7

Activity (Go SEA)

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