UCSF

ZINC08779973

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 32 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) 6.30 -0.11 -9.13 0 5 0 64 472.368 7
Mid Mid (pH 6-8) 6.48 0.02 -10.25 0 5 0 64 472.368 7
Mid Mid (pH 6-8) 6.48 1.26 -10.95 0 5 0 64 472.368 7
Mid Mid (pH 6-8) 6.30 -0.11 -12.91 0 5 0 64 472.368 7

Activity (Go SEA)

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