UCSF

ZINC36136091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.37 3.1 -38.14 4 4 1 68 251.35 6
Mid Mid (pH 6-8) 0.37 2.82 -7.92 3 4 0 67 250.342 6

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Rings

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