UCSF

ZINC35776028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 19 No

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) 1.95 3.49 -12.37 2 4 0 48 280.393 5
Mid Mid (pH 6-8) 1.95 5.53 -34.23 3 4 1 49 281.401 5

Activity (Go SEA)

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