UCSF

ZINC09086112

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 35 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) 4.53 10.55 -46.41 0 7 -1 88 472.517 9
Mid Mid (pH 6-8) 3.94 10.62 -21.1 0 7 0 82 473.525 9
Mid Mid (pH 6-8) 4.97 10.07 -18.43 1 7 0 85 473.525 8

Activity (Go SEA)

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