UCSF

ZINC37838962

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) 1.40 6.26 -70.37 1 6 0 82 310.375 4
Mid Mid (pH 6-8) 1.40 4.06 -52.08 0 6 -1 81 309.367 4

Activity (Go SEA)

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