UCSF

ZINC34980780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.40 7.21 -37.37 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.40 7.2 -42.37 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.40 4.95 -8.63 0 4 0 33 290.407 6

Activity (Go SEA)

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