UCSF

ZINC06729951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 22 Yes

CAS Number:

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) 5.24 -1.69 -7.74 2 3 0 41 298.43 3

Activity (Go SEA)

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