UCSF

ZINC34691983

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 3.34 8.55 -12.14 0 7 0 64 428.529 8
Lo Low (pH 4.5-6) 3.34 10.83 -51.71 1 7 1 66 429.537 8

Activity (Go SEA)

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