UCSF

ZINC37266110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) -0.08 6.9 -131.5 4 3 2 41 264.413 4
Hi High (pH 8-9.5) -0.08 4.6 -3.03 2 3 0 38 262.397 4
Mid Mid (pH 6-8) -0.08 6.59 -38.34 3 3 1 40 263.405 4
Mid Mid (pH 6-8) -0.08 4.99 -42.17 3 3 1 40 263.405 4

Activity (Go SEA)

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