UCSF

ZINC36327604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.96 0.09 -4.1 1 3 0 33 187.283 5
Mid Mid (pH 6-8) 0.96 2.24 -34.91 2 3 1 34 188.291 5

Activity (Go SEA)

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