UCSF

ZINC00135453

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Substance Information

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

Popular Name: boldine boldine

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CAS Number: 476-70-0

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) 2.46 4.9 -49.13 3 5 1 63 328.388 2 ↓
Mid Mid (pH 6-8) 2.46 2.55 -9.86 2 5 0 62 327.38 2 ↓

Activity (Go SEA)

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