UCSF

ZINC13570524

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 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) 5.79 11.94 -56.72 0 6 -1 79 505.418 11
Mid Mid (pH 6-8) 6.23 11.15 -10.5 1 6 0 76 506.426 10
Mid Mid (pH 6-8) 5.20 12.17 -12.39 0 6 0 73 506.426 11

Activity (Go SEA)

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