UCSF

ZINC38907693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 38 Yes

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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) 5.71 15.18 -19.02 0 6 0 51 502.618 7
Mid Mid (pH 6-8) 5.71 17.42 -56.36 1 6 1 52 503.626 7
Mid Mid (pH 6-8) 5.71 17.2 -42.64 1 6 1 52 503.626 7

Activity (Go SEA)

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