UCSF

ZINC36237548

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 22 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) 3.85 8.11 -54.49 0 5 -1 67 315.736 4
Mid Mid (pH 6-8) 3.85 8.55 -46.38 1 5 0 68 316.744 4

Activity (Go SEA)

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