UCSF

ZINC21704664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 3.25 9.93 -41.09 1 7 0 86 435.553 5
Hi High (pH 8-9.5) 3.25 7.72 -47.22 0 7 -1 85 434.545 5
Mid Mid (pH 6-8) 3.43 8.67 -24 1 7 0 78 435.553 5
Lo Low (pH 4.5-6) 3.43 11.01 -60.3 2 7 1 80 436.561 5

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