UCSF

ZINC20074982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.52 6.19 -40.45 2 5 1 44 289.403 7
Hi High (pH 8-9.5) 1.52 3.91 -7.8 1 5 0 42 288.395 7
Lo Low (pH 4.5-6) 1.52 7.53 -125.73 3 5 2 48 290.411 7

Activity (Go SEA)

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