UCSF

ZINC27757696

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 23 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) 4.03 11.35 -42.54 1 3 1 22 326.851 4
Mid Mid (pH 6-8) 4.03 8.84 -9.81 0 3 0 21 325.843 4

Activity (Go SEA)

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