UCSF

ZINC37813737

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.55 2.84 -59.94 4 7 1 103 281.336 4
Mid Mid (pH 6-8) 0.55 2.69 -15.26 3 7 0 101 280.328 4

Activity (Go SEA)

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