UCSF

ZINC45690251

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.41 8.39 -36.54 2 2 1 20 279.473 6
Mid Mid (pH 6-8) 2.41 9.23 -37.5 2 2 1 16 279.473 6
Lo Low (pH 4.5-6) 2.41 10.14 -118.76 3 2 2 21 280.481 6

Activity (Go SEA)

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