UCSF

ZINC36472084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 29 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) 5.37 13.73 -37.78 1 3 1 13 433.378 4
Mid Mid (pH 6-8) 5.37 13.62 -39.53 1 3 1 13 433.378 4
Mid Mid (pH 6-8) 5.37 11.37 -4.4 0 3 0 11 432.37 4

Activity (Go SEA)

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