UCSF

ZINC34632758

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2009 12 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) 1.34 2.31 -8.84 1 3 0 38 180.129 1
Mid Mid (pH 6-8) 1.80 0.4 -6.74 1 3 0 38 180.129 1

Activity (Go SEA)

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