UCSF

ZINC04067402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 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) 5.02 0.16 -11.22 0 5 0 64 403.478 7
Mid Mid (pH 6-8) 5.02 0.17 -14.15 0 5 0 64 403.478 7
Mid Mid (pH 6-8) 5.20 1.55 -13.32 0 5 0 64 403.478 7
Mid Mid (pH 6-8) 5.20 0.29 -11.69 0 5 0 64 403.478 7

Activity (Go SEA)

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