UCSF

ZINC26254137

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 38 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) 0.39 11.67 -156.49 3 8 1 90 520.629 7
Hi High (pH 8-9.5) 0.39 7.94 -67.27 1 8 -1 84 518.613 7
Mid Mid (pH 6-8) 0.39 9.35 -101.3 2 8 0 88 519.621 7
Mid Mid (pH 6-8) -2.35 10.71 -134.29 4 8 2 93 521.637 6
Mid Mid (pH 6-8) -2.35 8.39 -68.11 3 8 1 91 520.629 6

Activity (Go SEA)

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