UCSF

ZINC72194418

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 26 No

CAS Number: 194798-83-9

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) -0.87 9.37 -125.23 0 10 -2 134 384.239 7
Mid Mid (pH 6-8) -0.87 8.24 -40.16 1 10 -1 131 385.247 7

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

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