UCSF

ZINC12615844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 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) 3.64 7.95 -58.15 0 7 -1 82 483.972 8
Mid Mid (pH 6-8) 4.08 9.21 -58.83 2 7 1 81 485.988 7
Mid Mid (pH 6-8) 3.64 10.28 -71.13 1 7 0 83 484.98 8

Activity (Go SEA)

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