UCSF

ZINC02583985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 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) -3.25 -2.73 -65.52 6 7 0 137 268.269 6
Mid Mid (pH 6-8) -3.25 -3.03 -54.44 5 7 -1 136 267.261 6

Activity (Go SEA)

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