UCSF

ZINC49486492

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 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) -0.01 1.34 -15.43 2 6 0 80 243.288 5
Hi High (pH 8-9.5) -0.19 0.17 -43.67 1 6 -1 87 242.28 5

Activity (Go SEA)

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