UCSF

ZINC29404035

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 27 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) 2.58 4.94 -131.65 7 5 2 90 369.509 9
Mid Mid (pH 6-8) 2.58 3.52 -55.37 6 5 1 85 368.501 9
Mid Mid (pH 6-8) 2.58 4.56 -51.42 6 5 1 88 368.501 9

Activity (Go SEA)

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