UCSF

ZINC32053767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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 4.52 -134.51 5 4 2 62 268.401 8
Hi High (pH 8-9.5) 1.88 4.38 -37.03 4 4 1 60 267.393 8
Hi High (pH 8-9.5) 1.88 2.68 -56.21 4 4 1 60 267.393 8

Activity (Go SEA)

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