UCSF

ZINC04241939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 32 Yes

CAS Number: 1217759-04-0

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) 3.45 -2.7 -70.65 3 7 -1 121 429.452 8

Activity (Go SEA)

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