UCSF

ZINC37797575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.47 2.42 -114.35 5 5 2 77 270.402 5
Hi High (pH 8-9.5) -0.47 -0.98 -11.5 3 5 0 71 268.386 5
Mid Mid (pH 6-8) -0.47 0.23 -47.23 4 5 1 76 269.394 5
Mid Mid (pH 6-8) -0.47 1.22 -43.48 4 5 1 72 269.394 5

Activity (Go SEA)

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