UCSF

ZINC12026044

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.95 6.51 -54.29 2 7 1 88 434.563 6
Mid Mid (pH 6-8) 1.95 4.09 -25.28 1 7 0 87 433.555 6

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