UCSF

ZINC61678935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 9 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) 0.50 1.07 -34.23 3 3 1 48 131.199 3
Hi High (pH 8-9.5) 0.50 -1.35 -6.13 2 3 0 46 130.191 3

Activity (Go SEA)

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