UCSF

ZINC16651056

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 23 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) 3.96 7.59 -13.77 1 4 0 51 306.365 3
Lo Low (pH 4.5-6) 3.96 7.86 -30.59 2 4 1 52 307.373 3

Activity (Go SEA)

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