UCSF

ZINC37856262

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) 2.92 -0.09 -40.89 1 5 -1 82 337.324 4
Mid Mid (pH 6-8) 2.46 1.96 -12.02 2 5 0 79 338.332 4
Mid Mid (pH 6-8) 2.92 -0.04 -93.88 0 5 -2 84 336.316 4
Mid Mid (pH 6-8) 2.92 -0.82 -37.84 1 5 -1 81 337.324 4

Activity (Go SEA)

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