UCSF

ZINC35745487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 23 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) 3.07 8.96 -56.11 2 5 1 67 334.465 4
Mid Mid (pH 6-8) 3.53 6.25 -44.1 1 5 0 70 333.457 4

Activity (Go SEA)

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