UCSF

ZINC29846982

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 19 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) 3.61 6.53 -14.68 2 3 0 49 275.373 3
Hi High (pH 8-9.5) 3.61 7.55 -57.12 1 3 -1 52 274.365 3

Activity (Go SEA)

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