UCSF

ZINC37825952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.30 1.9 -47.85 3 6 1 77 270.353 4
Mid Mid (pH 6-8) 0.30 1.7 -8.67 2 6 0 76 269.345 4
Lo Low (pH 4.5-6) 0.30 4.03 -109.79 4 6 2 79 271.361 4

Activity (Go SEA)

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