UCSF

ZINC49090171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) -0.62 1.12 -50.44 4 7 1 94 254.314 7
Hi High (pH 8-9.5) -0.62 -0.95 -23.49 3 7 0 93 253.306 7

Activity (Go SEA)

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