UCSF

ZINC36368057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 1.53 6.79 -48.6 3 8 -1 134 366.353 3
Mid Mid (pH 6-8) 1.53 7.67 -36.52 4 8 0 139 367.361 3
Mid Mid (pH 6-8) 1.53 7.55 -105.5 2 8 -2 137 365.345 3

Activity (Go SEA)

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