UCSF

ZINC34874425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.59 1.73 -128.51 11 12 1 219 458.584 16
Hi High (pH 8-9.5) -2.59 1.4 -76.04 10 12 0 217 457.576 16
Mid Mid (pH 6-8) -2.72 1.49 -71.62 10 12 0 219 457.576 15

Activity (Go SEA)

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