UCSF

ZINC60251402

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 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) 3.55 9.7 -54.53 3 6 1 62 407.538 8
Hi High (pH 8-9.5) 3.55 7.49 -15.58 2 6 0 61 406.53 8

Activity (Go SEA)

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