UCSF

ZINC25973317

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 32 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) 3.23 7.83 -15.27 1 7 0 69 442.556 10
Mid Mid (pH 6-8) 3.23 9.81 -56.03 2 7 1 70 443.564 10

Activity (Go SEA)

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