UCSF

ZINC42502859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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Annotations

None

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) 1.10 3.64 -45.6 3 5 1 63 242.343 7
Mid Mid (pH 6-8) 1.10 1.45 -16.52 2 5 0 61 241.335 7

Activity (Go SEA)

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