UCSF

ZINC00844480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 31 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) 6.95 0.51 -7.75 0 4 0 55 476.787 4
Mid Mid (pH 6-8) 7.14 0.77 -9.69 0 4 0 55 476.787 4
Mid Mid (pH 6-8) 7.14 1.82 -8.62 0 4 0 55 476.787 4
Mid Mid (pH 6-8) 6.95 0.61 -11.19 0 4 0 55 476.787 4

Activity (Go SEA)

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