UCSF

ZINC40175702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 3.02 7.43 -27.26 2 4 1 52 259.329 4
Mid Mid (pH 6-8) 3.02 7.08 -6.68 1 4 0 51 258.321 4

Activity (Go SEA)

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