UCSF

ZINC02315673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 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) -1.06 -6.05 -42.9 2 6 -1 98 182.159 3
Mid Mid (pH 6-8) -1.06 -6.34 -15.51 3 6 0 95 183.167 3

Activity (Go SEA)

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