UCSF

ZINC39287330

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.04 3.17 -12.09 1 5 0 47 301.39 5
Mid Mid (pH 6-8) 1.04 4.53 -44.41 2 5 1 51 302.398 5
Lo Low (pH 4.5-6) 1.04 5.43 -41.85 2 5 1 48 302.398 5

Activity (Go SEA)

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