UCSF

ZINC33931386

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 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) 2.73 5.53 -63.96 0 7 -1 90 383.405 5
Lo Low (pH 4.5-6) 2.28 7.57 -19.43 1 7 0 86 384.413 5

Activity (Go SEA)

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