UCSF

ZINC35037032

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) 2.65 7.05 -36.88 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.65 6.96 -35.85 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.65 4.79 -7.08 0 4 0 33 290.407 6

Activity (Go SEA)

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