UCSF

ZINC42586671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 3.53 4.74 -2.39 3 2 0 38 192.306 4
Mid Mid (pH 6-8) 3.53 4.85 -30.16 4 2 1 43 193.314 4
Lo Low (pH 4.5-6) 3.53 4.61 -38.77 4 2 1 40 193.314 4

Activity (Go SEA)

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