UCSF

ZINC34984392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

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) -4.96 2.28 -149.78 10 14 0 252 457.488 13
Hi High (pH 8-9.5) -4.96 1.87 -128.59 9 14 -1 251 456.48 13

Activity (Go SEA)

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