UCSF

ZINC06621651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 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) 2.96 9.28 -57.63 0 6 -1 83 385.399 5
Mid Mid (pH 6-8) 3.41 0.6 -20.3 1 6 0 79 386.407 4
Lo Low (pH 4.5-6) 2.96 0.19 -47.18 2 6 1 80 387.415 5

Activity (Go SEA)

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