UCSF

ZINC28536305

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 23 No

CAS Number: [1782-65-6]

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) 4.67 10.86 -53.01 0 3 -1 53 315.433 4
Mid Mid (pH 6-8) 4.67 9.03 -7.28 1 3 0 50 316.441 4

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