UCSF

ZINC02789881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 28 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) 3.40 8.19 -52.83 0 6 -1 62 427.35 9
Lo Low (pH 4.5-6) 2.67 8.06 -15.15 1 6 0 64 428.358 9

Activity (Go SEA)

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