UCSF

ZINC37339647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 1.49 2.79 -38.48 3 5 1 65 279.36 4
Hi High (pH 8-9.5) 1.49 1.55 -53.64 1 5 -1 67 277.344 4
Mid Mid (pH 6-8) 1.49 0.55 -10.13 2 5 0 64 278.352 4

Activity (Go SEA)

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