UCSF

ZINC00967938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 18 Yes

CAS Numbers: 123441-03-2 , 129101-54-8 , 415973-05-6

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) 2.28 3.63 -37.97 1 4 1 33 251.35 5

Activity (Go SEA)

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