UCSF

ZINC36874281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 2.24 5.27 -48.28 4 3 1 56 271.171 4
Mid Mid (pH 6-8) 2.24 5.73 -106.5 5 3 2 58 272.179 4

Activity (Go SEA)

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