UCSF

ZINC34111589

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 11 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) -0.94 -2.49 -31.85 3 4 1 54 164.225 7
Hi High (pH 8-9.5) -0.94 -4.85 -7.51 2 4 0 53 163.217 7

Activity (Go SEA)

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