UCSF

ZINC25949693

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 22 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) 4.57 8.84 -10.34 0 3 0 33 310.422 2
Mid Mid (pH 6-8) 4.57 9.22 -35.88 1 3 1 34 311.43 2

Activity (Go SEA)

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