UCSF

ZINC08143469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 44 No

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Annotations

None

Vendors

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) -5.34 -17.45 -138.48 8 21 -1 323 662.422 11
Lo Low (pH 4.5-6) -5.34 -17.3 -150.9 9 21 0 325 663.43 11

Activity (Go SEA)

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