UCSF

ZINC20309362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 No

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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) 3.33 9.83 -77.15 2 7 0 94 446.503 7
Hi High (pH 8-9.5) 3.33 8.13 -138.31 0 7 -2 96 444.487 7
Mid Mid (pH 6-8) 3.33 10.68 -136.3 1 7 -1 97 445.495 7

Activity (Go SEA)

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