UCSF

ZINC09177141

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 33 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) 4.75 11.52 -56 0 7 -1 100 502.355 6
Mid Mid (pH 6-8) 5.20 10.77 -20.1 1 7 0 97 503.363 5
Mid Mid (pH 6-8) 4.17 0.07 -12.64 0 7 0 93 503.363 6

Activity (Go SEA)

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