UCSF

ZINC45650720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.51 3.6 -41.93 2 5 1 52 302.366 11
Hi High (pH 8-9.5) 1.51 1.29 -9.86 1 5 0 51 301.358 11

Activity (Go SEA)

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