UCSF

ZINC37995331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.34 5.81 -41.67 2 6 0 90 281.337 5
Mid Mid (pH 6-8) 0.12 3.41 -56.99 1 6 -1 93 280.329 5

Activity (Go SEA)

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