UCSF

ZINC37185727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 24 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) 3.12 9.3 -15.9 1 5 0 72 366.508 5
Hi High (pH 8-9.5) 3.57 7.73 -60.69 0 5 -1 75 365.5 5
Mid Mid (pH 6-8) 3.12 9.06 -24.37 1 5 0 72 366.508 5

Activity (Go SEA)

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