UCSF

ZINC42409122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) 1.67 5.55 -96.85 3 2 2 21 172.316 5
Hi High (pH 8-9.5) 1.67 4.1 -30.68 2 2 1 16 171.308 5
Mid Mid (pH 6-8) 1.67 3.23 -36.27 2 2 1 20 171.308 5

Activity (Go SEA)

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