UCSF

ZINC41718504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 24 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) 1.06 4.18 -39.03 3 6 1 66 337.419 6
Hi High (pH 8-9.5) 1.06 1.9 -7.7 2 6 0 65 336.411 6
Mid Mid (pH 6-8) 1.06 4.18 -43.24 3 6 1 66 337.419 6

Activity (Go SEA)

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