UCSF

ZINC37986871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -0.85 -0.3 -21.85 3 8 0 117 273.252 3
Mid Mid (pH 6-8) -0.39 -2.43 -51.06 2 8 -1 120 272.244 3

Activity (Go SEA)

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