UCSF

ZINC37053356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.42 2.36 -44.03 4 6 1 100 307.399 3
Hi High (pH 8-9.5) 0.42 2.17 -42.36 3 6 0 102 306.391 3

Activity (Go SEA)

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