UCSF

ZINC37759758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.74 7.4 -95.44 3 3 2 24 281.419 6
Mid Mid (pH 6-8) 1.74 5.03 -44.17 2 3 1 23 280.411 6

Activity (Go SEA)

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