UCSF

ZINC36754171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.51 1.81 -54.61 4 5 1 81 275.328 2
Hi High (pH 8-9.5) 0.51 4.52 -70.69 3 5 0 84 274.32 2
Mid Mid (pH 6-8) 0.51 3.74 -55.35 4 5 1 81 275.328 2

Activity (Go SEA)

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