UCSF

ZINC34950128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

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) 4.12 11.53 -13.25 0 7 0 79 439.556 9
Mid Mid (pH 6-8) 4.12 13.8 -64.95 1 7 1 80 440.564 9

Activity (Go SEA)

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