UCSF

ZINC35126598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 1.99 8.2 -46.16 1 4 0 58 248.307 4
Mid Mid (pH 6-8) 1.99 7.88 -48.02 0 4 -1 56 247.299 4

Activity (Go SEA)

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