UCSF

ZINC08405442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.53 5.33 -16.28 2 7 0 100 309.709 6
Mid Mid (pH 6-8) 2.53 4.82 -33.03 1 7 -1 98 308.701 6

Activity (Go SEA)

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