UCSF

ZINC36226360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 Yes

CAS Number: 1216153-14-8

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) 2.16 4.79 -24.96 4 3 1 52 192.286 2
Mid Mid (pH 6-8) 2.16 4.45 -4.78 3 3 0 51 191.278 2

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