UCSF

ZINC37800892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.19 1.38 -43.35 3 6 1 69 301.436 5
Mid Mid (pH 6-8) 0.19 0.21 -16.18 2 6 0 65 300.428 5
Lo Low (pH 4.5-6) 0.19 3.52 -102.08 4 6 2 70 302.444 5

Activity (Go SEA)

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