UCSF

ZINC04158163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 Yes

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) 6.18 3.48 -12.79 1 5 0 47 395.547 7
Mid Mid (pH 6-8) 6.18 3.78 -22.7 2 5 1 49 396.555 7

Activity (Go SEA)

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