UCSF

ZINC37820293

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) -0.29 5.21 -50.23 3 5 1 74 286.355 3
Mid Mid (pH 6-8) -0.29 4.86 -14.79 2 5 0 72 285.347 3

Activity (Go SEA)

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