UCSF

ZINC24977316

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 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) 0.12 2.26 -11.65 2 5 0 67 288.376 6
Mid Mid (pH 6-8) 0.12 3.69 -60.06 3 5 1 71 289.384 6

Activity (Go SEA)

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