UCSF

ZINC34477942

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 2.99 3.1 -8.59 2 4 0 67 248.278 0
Hi High (pH 8-9.5) 2.99 4.1 -53.1 1 4 -1 70 247.27 0

Activity (Go SEA)

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