UCSF

ZINC34577803

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 2.10 2.13 -39.99 3 3 1 38 179.243 3
Mid Mid (pH 6-8) 2.10 0.46 -4.49 2 3 0 33 178.235 3

Activity (Go SEA)

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