UCSF

ZINC01530962

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 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) -3.04 -0.17 -98.55 6 4 1 95 183.178 5
Mid Mid (pH 6-8) -3.04 -0.34 -54.96 5 4 0 94 182.17 5

Activity (Go SEA)

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