UCSF

ZINC48841419

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) 2.54 5.14 -42.74 2 4 1 51 303.473 5
Hi High (pH 8-9.5) 2.54 4.95 -41.81 1 4 0 53 302.465 5
Hi High (pH 8-9.5) 2.54 2.93 -8.21 1 4 0 49 302.465 5

Activity (Go SEA)

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