UCSF

ZINC36754332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.06 0.67 -48.41 4 5 1 73 255.367 3
Mid Mid (pH 6-8) 0.62 1.84 -31.76 4 5 1 76 255.367 2
Mid Mid (pH 6-8) -0.13 1.95 -34.84 3 5 0 79 254.359 3
Lo Low (pH 4.5-6) 0.06 2.86 -115.33 5 5 2 74 256.375 3

Activity (Go SEA)

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