UCSF

ZINC12620341

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 35 Yes

CAS Number: 199794-14-4

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) 5.47 14.5 -16.07 0 8 0 97 476.481 11

Activity (Go SEA)

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