UCSF

ZINC49089437

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 29 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) 3.00 6.61 -51.24 3 5 1 59 389.475 0
Hi High (pH 8-9.5) 3.00 4.86 -11.57 2 5 0 58 388.467 0

Activity (Go SEA)

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