UCSF

ZINC19524322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 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) 2.79 10.4 -15.48 1 6 0 65 361.449 6
Mid Mid (pH 6-8) 2.79 10.79 -40.77 2 6 1 66 362.457 6
Lo Low (pH 4.5-6) 2.79 11.24 -81.81 3 6 2 67 363.465 6

Activity (Go SEA)

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