UCSF

ZINC13570528

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) 3.64 9.87 -55.63 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 4.09 9.36 -23.23 1 8 0 106 482.489 6
Mid Mid (pH 6-8) 3.06 10.19 -15.4 0 8 0 103 482.489 7

Activity (Go SEA)

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