UCSF

ZINC37856301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.61 -1.59 -43.93 1 6 -1 91 335.333 5
Mid Mid (pH 6-8) 2.16 0.67 -12.87 2 6 0 88 336.341 5
Mid Mid (pH 6-8) 2.61 -1.43 -101.12 0 6 -2 93 334.325 5
Mid Mid (pH 6-8) 2.61 -2.21 -44.69 1 6 -1 91 335.333 5

Activity (Go SEA)

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