UCSF

ZINC37045288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 1.12 3.38 -51.39 4 6 1 103 238.267 4
Hi High (pH 8-9.5) 1.12 3.13 -9.01 3 6 0 101 237.259 4

Activity (Go SEA)

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