UCSF

ZINC19990325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 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) 3.47 7.14 -61.55 0 7 -1 104 452.537 5
Lo Low (pH 4.5-6) 3.28 8.95 -24.52 1 7 0 98 453.545 5

Activity (Go SEA)

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