UCSF

ZINC37740433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 19 No

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 4 -60.01 2 5 1 69 280.373 6
Mid Mid (pH 6-8) 0.55 2.64 -16.56 1 5 0 64 279.365 6

Activity (Go SEA)

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