UCSF

ZINC34821823

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 29 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) 2.30 6.11 -38.08 2 6 1 67 429.953 4
Mid Mid (pH 6-8) 2.30 5.94 -20.77 1 6 0 65 428.945 4
Lo Low (pH 4.5-6) 2.30 8.33 -112.91 3 6 2 68 430.961 4

Activity (Go SEA)

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