UCSF

ZINC58746567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2011 20 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) 1.15 6.68 -37.91 1 4 1 28 280.367 4
Hi High (pH 8-9.5) 1.15 4.29 -9.34 0 4 0 27 279.359 4

Activity (Go SEA)

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