UCSF

ZINC09302055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 33 No

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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) 3.11 7.18 -64.21 0 8 -1 97 454.499 10
Mid Mid (pH 6-8) 3.55 7.51 -17.59 1 8 0 95 455.507 9
Mid Mid (pH 6-8) 2.52 1.51 -12.55 0 8 0 91 455.507 10

Activity (Go SEA)

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