UCSF

ZINC44725436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 1.51 5.68 -79.4 3 3 2 24 239.407 3
Hi High (pH 8-9.5) 1.51 3.35 -36.68 2 3 1 23 238.399 3
Mid Mid (pH 6-8) 1.51 6.61 -103.14 3 3 2 21 239.407 3

Activity (Go SEA)

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