UCSF

ZINC36617900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) -0.26 5.41 -14.01 0 10 0 91 488.596 6
Mid Mid (pH 6-8) -0.26 7.63 -55.6 1 10 1 92 489.604 6
Mid Mid (pH 6-8) -0.26 7.63 -56.88 1 10 1 92 489.604 6
Mid Mid (pH 6-8) -0.26 9.85 -109.68 2 10 2 93 490.612 6

Activity (Go SEA)

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