UCSF

ZINC49069147

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 2.25 6.43 -36.76 1 4 1 43 303.436 5
Hi High (pH 8-9.5) 2.25 4.06 -11.69 0 4 0 42 302.428 5

Activity (Go SEA)

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