UCSF

ZINC34681559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 No

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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) 4.27 11.61 -17.75 1 8 0 94 485.466 7
Mid Mid (pH 6-8) 4.27 13.49 -48.21 2 8 1 95 486.474 7
Lo Low (pH 4.5-6) 4.27 13.83 -112.58 3 8 2 97 487.482 7
Lo Low (pH 4.5-6) 4.27 11.92 -46.63 2 8 1 96 486.474 7

Activity (Go SEA)

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