UCSF

ZINC36828967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.98 1.76 -17.33 2 6 0 95 265.294 2
Mid Mid (pH 6-8) 0.80 1.29 -43.61 1 6 -1 94 264.286 3

Activity (Go SEA)

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