UCSF

ZINC62037701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.42 7.85 -88.73 3 4 2 43 313.511 7
Hi High (pH 8-9.5) 3.42 6.1 -8.04 1 4 0 37 311.495 7
Mid Mid (pH 6-8) 3.42 7.44 -39.16 2 4 1 42 312.503 7

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

No pre-computed analogs available. Try a structural similarity search.