UCSF

ZINC36732080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.31 1.3 -43.73 3 4 1 51 200.306 6
Mid Mid (pH 6-8) -1.31 2.89 -34.49 3 4 1 51 200.306 6

Activity (Go SEA)

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