UCSF

ZINC12082330

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 4.64 11.44 -36.95 2 6 1 63 422.549 7
Hi High (pH 8-9.5) 4.64 8.97 -12.97 1 6 0 62 421.541 7

Activity (Go SEA)

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