UCSF

ZINC34681539

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.54 10.86 -18.08 1 8 0 94 435.459 6
Mid Mid (pH 6-8) 3.54 12.6 -48.97 2 8 1 95 436.467 6
Lo Low (pH 4.5-6) 3.54 12.93 -109.67 3 8 2 97 437.475 6
Lo Low (pH 4.5-6) 3.54 11.18 -44.51 2 8 1 96 436.467 6

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