UCSF

ZINC37856298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.59 -0.5 -41.91 1 5 -1 82 301.344 3
Mid Mid (pH 6-8) 2.13 1.8 -10.3 2 5 0 79 302.352 3
Mid Mid (pH 6-8) 2.59 -1.07 -48.13 1 5 -1 81 301.344 3
Mid Mid (pH 6-8) 2.59 -0.28 -105.58 0 5 -2 84 300.336 3

Activity (Go SEA)

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