UCSF

ZINC36637130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 Yes

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) 2.16 7.29 -58.66 3 9 1 106 436.537 11
Hi High (pH 8-9.5) 2.16 5.18 -18.2 2 9 0 105 435.529 11

Activity (Go SEA)

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