UCSF

ZINC36159524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 No

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) 0.70 2.84 -47.19 3 5 1 77 292.384 2
Mid Mid (pH 6-8) 0.70 0.69 -13.58 2 5 0 76 291.376 2
Lo Low (pH 4.5-6) 0.70 1.05 -43.11 3 5 1 78 292.384 2
Lo Low (pH 4.5-6) 0.70 3.26 -119.05 4 5 2 79 293.392 2

Activity (Go SEA)

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