UCSF

ZINC12654409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 33 Yes

CAS Number: 61419-02-1

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) 6.01 9.82 -14.58 2 5 0 76 432.431 0

Activity (Go SEA)

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