UCSF

ZINC32119710

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 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) 2.93 4.84 -39.12 3 2 1 37 273.194 5
Hi High (pH 8-9.5) 2.93 3.58 -4.29 2 2 0 32 272.186 5

Activity (Go SEA)

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