UCSF

ZINC02403952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 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) 4.91 12.39 -33.53 1 5 1 51 415.542 3
Mid Mid (pH 6-8) 4.91 12.24 -13.61 0 5 0 49 414.534 3

Activity (Go SEA)

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