UCSF

ZINC20029405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 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) 3.55 10.12 -31.62 1 3 1 17 313.465 9
Hi High (pH 8-9.5) 3.55 7.75 -3.71 0 3 0 16 312.457 9
Mid Mid (pH 6-8) 3.55 10.32 -35.83 1 3 1 17 313.465 9
Mid Mid (pH 6-8) 3.55 12.35 -107.65 2 3 2 18 314.473 9

Activity (Go SEA)

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