UCSF

ZINC41655719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 4.95 8.8 -59.13 3 1 1 28 294.34 3
Mid Mid (pH 6-8) 4.95 8.48 -7.2 2 1 0 26 293.332 3

Activity (Go SEA)

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