UCSF

ZINC41124016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.11 7.29 -97.4 3 3 2 29 242.407 3
Hi High (pH 8-9.5) 2.11 5.24 -29.45 2 3 1 28 241.399 3
Hi High (pH 8-9.5) 2.11 5.04 -29.45 2 3 1 28 241.399 3

Activity (Go SEA)

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