UCSF

ZINC36980608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.56 7.56 -36.59 2 4 1 52 302.341 9
Mid Mid (pH 6-8) 3.56 6.62 -6.7 1 4 0 48 301.333 9

Activity (Go SEA)

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