UCSF

ZINC63121328

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 17 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) 1.90 6.81 -88.83 3 3 2 29 242.407 3
Hi High (pH 8-9.5) 1.90 4.72 -34.06 2 3 1 28 241.399 3

Activity (Go SEA)

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