UCSF

ZINC27323248

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) -0.07 8.36 -96.16 2 5 0 79 322.311 5
Mid Mid (pH 6-8) -0.07 6.95 -60.16 1 5 -1 74 321.303 5
Lo Low (pH 4.5-6) -0.07 6.06 -25.24 2 5 0 77 322.311 5
Lo Low (pH 4.5-6) -0.07 7.47 -77.88 3 5 1 82 323.319 5
Lo Low (pH 4.5-6) -0.07 7.3 -51.86 3 5 1 76 323.319 5

Activity (Go SEA)

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