UCSF

ZINC43460868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.74 3.38 -33.68 2 4 0 56 267.13 1
Mid Mid (pH 6-8) 1.74 4.11 -41.25 3 4 1 58 268.138 1

Activity (Go SEA)

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