UCSF

ZINC02994336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 3.80 8.9 -9.54 1 4 0 55 372.858 1
Ref Reference (pH 7) 4.26 6.15 -9.16 1 4 0 55 372.858 1
Mid Mid (pH 6-8) 4.26 6.94 -41.88 0 4 -1 58 371.85 1

Activity (Go SEA)

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