UCSF

ZINC37988442

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) 1.82 4.64 -44.28 2 4 1 48 279.385 6
Mid Mid (pH 6-8) 1.82 3.28 -7.81 1 4 0 43 278.377 6

Activity (Go SEA)

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