UCSF

ZINC37856255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.19 -1.03 -40.79 1 5 -1 82 287.317 3
Hi High (pH 8-9.5) 1.73 1.14 -36.69 1 5 -1 81 287.317 3
Mid Mid (pH 6-8) 1.73 1.02 -11.44 2 5 0 79 288.325 3
Mid Mid (pH 6-8) 2.19 -0.98 -94.62 0 5 -2 84 286.309 3

Activity (Go SEA)

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