UCSF

ZINC33813441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 No

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Annotations

Vendors

    None

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) 1.86 13.3 -59.12 0 9 -1 120 503.626 9
Lo Low (pH 4.5-6) 1.86 9.48 -22.97 1 9 0 118 504.634 9

Activity (Go SEA)

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