UCSF

ZINC09359033

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 3.12 8.63 -46.77 2 7 1 81 439.532 9
Mid Mid (pH 6-8) 2.54 1.29 -54.49 1 7 1 77 439.532 9

Activity (Go SEA)

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