UCSF

ZINC37978582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.95 6.22 -33.73 3 3 1 38 311.877 4
Mid Mid (pH 6-8) 3.95 7.43 -101.42 4 3 2 42 312.885 4

Activity (Go SEA)

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