UCSF

ZINC37822964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.57 5.03 -84.27 3 5 2 56 238.335 3
Mid Mid (pH 6-8) -0.57 4.73 -47.06 2 5 1 55 237.327 3

Activity (Go SEA)

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