UCSF

ZINC26380152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.53 -0.92 -146.45 4 11 -2 183 405.344 9
Mid Mid (pH 6-8) 0.53 -2.12 -62.56 5 11 -1 180 406.352 9
Lo Low (pH 4.5-6) 0.53 -0.96 -66.12 6 11 0 181 407.36 9

Activity (Go SEA)

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