UCSF

ZINC43994336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 1.90 8.59 -100.96 3 3 2 36 231.343 4
Hi High (pH 8-9.5) 1.90 6.93 -6.22 1 3 0 30 229.327 4
Mid Mid (pH 6-8) 1.90 8.12 -44.62 2 3 1 34 230.335 4

Activity (Go SEA)

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