UCSF

ZINC36878851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Other Names:

MFCD25458299

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) 1.42 4.35 -9.9 1 6 0 68 272.345 6
Mid Mid (pH 6-8) 1.42 5.53 -49.46 2 6 1 72 273.353 6

Activity (Go SEA)

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