UCSF

ZINC37335468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.81 3.5 -43.26 3 4 1 62 224.28 5
Hi High (pH 8-9.5) 1.81 2.25 -52.86 1 4 -1 64 222.264 5
Mid Mid (pH 6-8) 1.81 1.25 -9.64 2 4 0 61 223.272 5
Mid Mid (pH 6-8) 1.81 4.51 -58.35 2 4 0 65 223.272 5

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Rings

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