UCSF

ZINC08035453

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 40 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) -5.97 -22.71 -271.63 21 18 4 338 589.64 10
Hi High (pH 8-9.5) -5.97 -23.49 -107.5 19 18 2 335 587.624 10
Hi High (pH 8-9.5) -5.97 -23.95 -59.69 18 18 1 334 586.616 10
Mid Mid (pH 6-8) -5.97 -23.12 -187.48 20 18 3 337 588.632 10

Activity (Go SEA)

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