UCSF

ZINC60260362

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 19 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) 4.20 7.93 -27.41 3 2 1 40 249.337 1
Mid Mid (pH 6-8) 4.20 7.53 -8.04 2 2 0 39 248.329 1

Activity (Go SEA)

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