UCSF

ZINC50770113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 20 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) 2.13 5.25 -36.85 2 5 1 56 280.392 7
Hi High (pH 8-9.5) 2.13 3.18 -9.14 1 5 0 54 279.384 7
Mid Mid (pH 6-8) 2.13 5.94 -83.85 3 5 2 57 281.4 7

Activity (Go SEA)

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