UCSF

ZINC35497194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 2.89 14.22 -58.1 1 6 1 66 428.871 6
Mid Mid (pH 6-8) 2.89 12.97 -21.01 0 6 0 64 427.863 6

Activity (Go SEA)

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