UCSF

ZINC03937257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 33 No

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Annotations

Vendors

    None

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) 1.58 -2.29 -19.85 5 12 0 169 473.43 10
Mid Mid (pH 6-8) 1.58 -2.09 -41.67 6 12 1 170 474.438 10
Mid Mid (pH 6-8) 1.58 -2.11 -40.17 6 12 1 170 474.438 10
Mid Mid (pH 6-8) -2.77 -2.11 -40.17 6 12 1 171 474.438 10

Activity (Go SEA)

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