UCSF

ZINC36878980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.97 6.55 -38.79 2 5 1 46 298.451 4
Mid Mid (pH 6-8) 1.97 5.17 -45.28 2 5 1 49 298.451 4
Lo Low (pH 4.5-6) 1.97 7.57 -112.49 3 5 2 51 299.459 4

Activity (Go SEA)

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