UCSF

ZINC08438540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 No

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) 3.61 0.63 -50 1 6 -1 97 451.257 7
Mid Mid (pH 6-8) 3.03 0.7 -52.54 0 6 -1 94 451.257 7

Activity (Go SEA)

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