UCSF

ZINC01856503

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 13 No

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) 1.95 -0.35 -5.7 0 2 0 17 170.215 1
Mid Mid (pH 6-8) 1.95 -0.06 -29.5 1 2 1 19 171.223 1

Activity (Go SEA)

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