UCSF

ZINC40101048

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

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Annotations

Vendors

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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) 4.53 7.96 -60.68 1 7 -1 99 503.369 9
Hi High (pH 8-9.5) 4.53 8.88 -119.79 0 7 -2 102 502.361 9
Lo Low (pH 4.5-6) 4.53 7.2 -17.47 2 7 0 96 504.377 9

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