UCSF

ZINC67696890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 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) -0.37 -1.84 -52.97 2 6 1 71 307.436 4
Mid Mid (pH 6-8) -0.37 -4.12 -13.68 1 6 0 70 306.428 4
Lo Low (pH 4.5-6) -0.37 0.13 -131.2 3 6 2 72 308.444 4

Activity (Go SEA)

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