UCSF

ZINC13470769

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 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) 2.14 5.76 -63.51 0 8 -1 95 439.488 8
Mid Mid (pH 6-8) 2.59 7 -57.25 2 8 1 94 441.504 7
Mid Mid (pH 6-8) 2.14 8.11 -74.69 1 8 0 96 440.496 8

Activity (Go SEA)

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