UCSF

ZINC44116677

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.29 5.49 -34.57 2 3 1 28 263.405 4
Mid Mid (pH 6-8) 2.29 3.12 -3.72 1 3 0 27 262.397 4
Lo Low (pH 4.5-6) 2.29 5.35 -33.15 2 3 1 28 263.405 4

Activity (Go SEA)

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