UCSF

ZINC32205604

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) 2.16 9.12 -52.06 0 5 -1 64 305.398 8
Lo Low (pH 4.5-6) 2.16 8 -10.7 1 5 0 61 306.406 8

Activity (Go SEA)

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