UCSF

ZINC59522176

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 27 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) -2.47 3.77 -59.51 4 10 0 155 384.433 8
Mid Mid (pH 6-8) -2.47 3.45 -56.58 3 10 -1 153 383.425 8

Activity (Go SEA)

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