UCSF

ZINC00000527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 23 Yes

CAS Number: 42050-23-7

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) 2.91 -4.14 -41.18 4 4 1 66 320.453 6

Activity (Go SEA)

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