UCSF

ZINC37110365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.38 3.31 -37.13 2 2 1 20 171.308 3
Mid Mid (pH 6-8) 1.38 3.87 -29.41 2 2 1 16 171.308 3
Lo Low (pH 4.5-6) 1.38 5.22 -96.04 3 2 2 21 172.316 3

Activity (Go SEA)

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