UCSF

ZINC45053611

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 19 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) 0.04 1.64 -19.02 3 5 0 85 255.277 4
Lo Low (pH 4.5-6) 0.04 2.1 -53.67 4 5 1 86 256.285 4

Activity (Go SEA)

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