UCSF

ZINC19663947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 Yes

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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) 1.04 3.3 -49.47 3 4 1 53 260.361 6
Hi High (pH 8-9.5) 1.04 2.23 -9.65 2 4 0 51 259.353 6
Hi High (pH 8-9.5) 1.04 5.15 -38.52 3 4 1 53 260.361 6
Mid Mid (pH 6-8) 1.04 5.49 -126.63 4 4 2 54 261.369 6
Lo Low (pH 4.5-6) 1.04 5.97 -181.72 5 4 3 55 262.377 6

Activity (Go SEA)

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