UCSF

ZINC39917014

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.27 13.73 -39.1 1 4 1 31 398.958 8
Mid Mid (pH 6-8) 5.27 11.32 -10.7 0 4 0 30 397.95 8
Mid Mid (pH 6-8) 5.27 12.04 -27.7 1 4 1 32 398.958 8

Activity (Go SEA)

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