UCSF

ZINC00816004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 27 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) 2.26 -4.88 -14.96 1 6 0 79 368.433 2
Mid Mid (pH 6-8) 2.44 -4.77 -15.16 1 6 0 79 368.433 2
Mid Mid (pH 6-8) 2.44 -3.52 -22.06 1 6 0 79 368.433 2

Activity (Go SEA)

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