UCSF

ZINC01235164

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 26 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) 1.88 8.15 -17.27 1 8 0 91 355.398 3
Mid Mid (pH 6-8) 2.06 8.44 -37.74 2 8 1 96 356.406 3

Activity (Go SEA)

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