UCSF

ZINC52292664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 3.02 6.82 -10.47 3 3 0 51 261.394 3
Mid Mid (pH 6-8) 3.02 7.11 -34.46 4 3 1 52 262.402 3

Activity (Go SEA)

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