UCSF

ZINC32072810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 1.88 3.36 -48.32 3 5 1 60 320.457 7
Hi High (pH 8-9.5) 1.88 1.71 -10.83 2 5 0 56 319.449 7
Mid Mid (pH 6-8) 1.88 5.28 -103.97 4 5 2 62 321.465 7

Activity (Go SEA)

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