UCSF

ZINC06415671

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 23 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) 4.05 5.15 -10.93 1 5 0 65 335.425 7
Mid Mid (pH 6-8) 4.05 5.27 -51.65 0 5 -1 67 334.417 7

Activity (Go SEA)

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