UCSF

ZINC02614422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 34 Yes

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) 7.61 14.8 -20.48 1 5 0 72 490.65 7
Mid Mid (pH 6-8) 8.06 13.57 -53.48 0 5 -1 75 489.642 7

Activity (Go SEA)

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