UCSF

ZINC17014271

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 No

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) 2.72 5.88 -53.71 1 4 -1 69 310.304 3
Mid Mid (pH 6-8) 2.91 4.02 -28.08 2 4 0 74 311.312 3
Lo Low (pH 4.5-6) 2.72 4.89 -14.89 2 4 0 66 311.312 3

Activity (Go SEA)

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