UCSF

ZINC38391515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2010 25 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) 5.98 8.15 -8.59 2 4 0 65 352.459 2
Hi High (pH 8-9.5) 6.43 6.4 -46.03 1 4 -1 69 351.451 2

Activity (Go SEA)

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