UCSF

ZINC37102604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.28 5.83 -48.19 3 5 1 72 361.256 8
Hi High (pH 8-9.5) 3.28 5.57 -47.82 1 5 -1 71 359.24 8
Mid Mid (pH 6-8) 3.28 5.92 -8.72 2 5 0 68 360.248 8

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Rings

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