UCSF

ZINC75244960

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2012 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) 2.13 9.67 -18.16 0 6 0 72 351.406 6
Lo Low (pH 4.5-6) 2.13 10.12 -44.15 1 6 1 74 352.414 6

Activity (Go SEA)

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