UCSF

ZINC49750760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 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) 2.05 8.23 -59.22 2 4 1 57 292.79 4
Mid Mid (pH 6-8) 2.05 5.99 -12.24 1 4 0 56 291.782 4

Activity (Go SEA)

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