UCSF

ZINC44712942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) 1.42 3.7 -48.78 1 4 -1 69 195.585 1
Mid Mid (pH 6-8) 1.42 4.12 -35.73 2 4 0 70 196.593 1

Activity (Go SEA)

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