UCSF

ZINC35871988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 3.75 10.57 -50.01 1 5 1 37 438.514 3
Hi High (pH 8-9.5) 3.75 8.41 -10.9 0 5 0 36 437.506 3

Activity (Go SEA)

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