UCSF

ZINC41534697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

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Annotations

Vendors

    None

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) 2.06 6.1 -54.76 1 7 -1 89 440.495 6
Mid Mid (pH 6-8) 2.06 8.35 -64.58 2 7 0 90 441.503 6
Lo Low (pH 4.5-6) 2.06 7.59 -50.76 3 7 1 87 442.511 6

Activity (Go SEA)

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