UCSF

ZINC34988839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.03 7.19 -45.02 1 3 1 25 265.352 4
Mid Mid (pH 6-8) 2.03 7.03 -42.72 1 3 1 25 265.352 4
Lo Low (pH 4.5-6) 2.03 9.43 -110.99 2 3 2 26 266.36 4

Activity (Go SEA)

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