UCSF

ZINC09730699

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.35 15.02 -9.04 0 7 0 102 472.541 6
Mid Mid (pH 6-8) 6.53 14.81 -10.3 0 7 0 102 472.541 6
Mid Mid (pH 6-8) 6.53 15.65 -16.22 0 7 0 102 472.541 6
Mid Mid (pH 6-8) 6.35 14.98 -12.13 0 7 0 102 472.541 6

Activity (Go SEA)

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