UCSF

ZINC36754225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.25 2.94 -47.15 3 5 1 70 253.322 4
Mid Mid (pH 6-8) 0.25 5.21 -114.46 4 5 2 72 254.33 4

Activity (Go SEA)

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