UCSF

ZINC49957345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 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) 3.16 7.34 -40.86 3 2 1 37 242.342 5
Hi High (pH 8-9.5) 3.16 7.02 -5.27 2 2 0 35 241.334 5

Activity (Go SEA)

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