UCSF

ZINC00162130

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 15 Yes

Popular Name: 3-HYDROXY-1H-PHENALEN-1-ONE 3-HYDROXY-1H-PHENALEN-1-ONE

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CAS Numbers: 5472-84-4 , 5821-59-0

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) 2.23 6.65 -9.51 0 2 0 34 196.205 0 ↓
Mid Mid (pH 6-8) 2.98 4.73 -58.86 0 2 -1 40 195.197 0 ↓

Activity (Go SEA)

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