UCSF

ZINC01184860

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 26 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) 3.06 5.47 -48.58 0 6 -1 78 368.8 3
Lo Low (pH 4.5-6) 2.60 7.94 -10.26 1 6 0 75 369.808 3

Activity (Go SEA)

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