UCSF

ZINC09123966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 36 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) 3.57 9.5 -46.84 3 8 1 101 497.612 11
Mid Mid (pH 6-8) 2.99 10.11 -53.53 2 8 1 98 497.612 11

Activity (Go SEA)

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