UCSF

ZINC34970971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 Yes

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) 3.49 7.48 -12.6 2 8 0 83 452.555 6
Mid Mid (pH 6-8) 3.49 9.16 -56.09 3 8 1 84 453.563 6

Activity (Go SEA)

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