UCSF

ZINC22446644

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 30 Yes

CAS Numbers: 2622-30-2 , 2975-34-0

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) 4.01 9.06 -43.6 2 5 1 50 426.606 8
Mid Mid (pH 6-8) 4.01 6.8 -12.01 1 5 0 49 425.598 8

Activity (Go SEA)

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