UCSF

ZINC38441613

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 25 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) 4.86 11.47 -11.66 2 5 0 66 327.391 4
Mid Mid (pH 6-8) 4.86 11.35 -12.48 2 5 0 66 327.391 4
Lo Low (pH 4.5-6) 4.86 11.81 -26.68 3 5 1 68 328.399 4
Lo Low (pH 4.5-6) 4.86 11.68 -30.05 3 5 1 68 328.399 4

Activity (Go SEA)

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