UCSF

ZINC09370248

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 6.69 14.98 -24.41 2 4 0 65 506.458 6
Mid Mid (pH 6-8) 7.20 -1 -11.17 1 4 0 65 506.458 6
Mid Mid (pH 6-8) 7.20 0.76 -18.12 1 4 0 65 506.458 6
Mid Mid (pH 6-8) 7.02 -1.01 -11.16 1 4 0 65 506.458 6

Activity (Go SEA)

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