UCSF

ZINC41248664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 26 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) -0.32 2.93 -16.15 2 7 0 91 372.347 6
Lo Low (pH 4.5-6) -0.32 3.4 -48.72 3 7 1 93 373.355 6

Activity (Go SEA)

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