UCSF

ZINC36881889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 2.70 3.94 -10.32 1 3 0 46 268.165 5
Mid Mid (pH 6-8) 2.70 4.1 -40.34 0 3 -1 48 267.157 5

Activity (Go SEA)

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