UCSF

ZINC33580191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 33 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) 1.76 11.42 -41.7 2 7 0 111 448.519 6
Hi High (pH 8-9.5) 1.76 10.49 -48.16 1 7 -1 107 447.511 6

Activity (Go SEA)

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