UCSF

ZINC20135316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

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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) 3.26 11.66 -63.63 1 8 0 111 441.459 9
Hi High (pH 8-9.5) 3.26 9.44 -49.2 0 8 -1 109 440.451 9
Lo Low (pH 4.5-6) 3.26 10.84 -54.6 2 8 1 108 442.467 9

Activity (Go SEA)

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