UCSF

ZINC39917619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

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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) 4.18 9.87 -13.9 0 6 0 49 423.557 11
Mid Mid (pH 6-8) 4.18 12.13 -50.58 1 6 1 50 424.565 11
Mid Mid (pH 6-8) 4.18 10.16 -36.1 1 6 1 50 424.565 11
Lo Low (pH 4.5-6) 4.18 12.43 -105.2 2 6 2 51 425.573 11

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