UCSF

ZINC01684797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 30 Yes

CAS Numbers: 82-09-7 , CAS# 82-09-7

Other Names:

alpha-TOXICAROL (dl)

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) 3.50 6.32 -11.28 1 7 0 83 410.422 2
Hi High (pH 8-9.5) 3.50 7.32 -56.33 0 7 -1 86 409.414 2

Activity (Go SEA)

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