UCSF

ZINC41649258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 4.46 8.95 -12.37 0 8 0 80 503.551 7
Lo Low (pH 4.5-6) 4.46 11.88 -51.5 1 8 1 81 504.559 7

Activity (Go SEA)

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