UCSF

ZINC32210400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 2.05 4.87 -34.41 2 5 1 46 309.43 6
Mid Mid (pH 6-8) 2.05 2.55 -6.55 1 5 0 45 308.422 6

Activity (Go SEA)

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