UCSF

ZINC16212822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 32 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) 3.91 9.53 -53.97 0 7 -1 88 438.5 11
Mid Mid (pH 6-8) 4.36 7.21 -30.27 1 7 0 85 439.508 10
Mid Mid (pH 6-8) 3.33 8.19 -24.92 0 7 0 82 439.508 11

Activity (Go SEA)

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