UCSF

ZINC00905792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.47 -1.55 -57.73 2 7 1 84 408.478 6
Mid Mid (pH 6-8) 0.88 -1.65 -70.32 1 7 1 81 408.478 6
Lo Low (pH 4.5-6) 0.88 -1.53 -126.4 2 7 2 82 409.486 6
Lo Low (pH 4.5-6) 1.91 -1.8 -122.26 3 7 2 85 409.486 5

Activity (Go SEA)

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