UCSF

ZINC12404536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 21 Yes

CAS Number: 1415816-53-3

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) 0.78 -1.86 -56.36 0 6 -1 79 294.327 6

Activity (Go SEA)

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