UCSF

ZINC33771989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 1.90 9.09 -53.51 4 8 0 135 492.572 5
Hi High (pH 8-9.5) 1.90 6.94 -58.96 3 8 -1 130 491.564 5
Mid Mid (pH 6-8) 1.90 8.03 -59.34 3 8 -1 130 491.564 5

Activity (Go SEA)

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