UCSF

ZINC34988603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.77 7.11 -37.45 1 4 1 34 263.361 5
Mid Mid (pH 6-8) 1.77 4.82 -9.95 0 4 0 33 262.353 5
Mid Mid (pH 6-8) 1.77 7.02 -39.43 1 4 1 34 263.361 5

Activity (Go SEA)

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