UCSF

ZINC50989276

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 26 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) 4.30 12 -46.45 2 4 1 50 366.51 6
Mid Mid (pH 6-8) 4.76 9.21 -42.8 1 4 0 53 365.502 6

Activity (Go SEA)

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