UCSF

ZINC59432541

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 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) 4.82 8.39 -10.46 1 5 0 64 382.485 5
Hi High (pH 8-9.5) 5.27 6.6 -45.94 0 5 -1 67 381.477 5
Hi High (pH 8-9.5) 5.27 6.93 -46.03 0 5 -1 67 381.477 5

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