UCSF

ZINC33974797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 35 No

CAS Number: 367514-87-2

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) 5.19 14.95 -44.96 1 6 1 58 493.697 5
Hi High (pH 8-9.5) 5.19 13.02 -12.61 0 6 0 57 492.689 5

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