UCSF

ZINC32205245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 36 Yes

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) 4.64 12.51 -17.16 1 5 0 53 485.672 5
Lo Low (pH 4.5-6) 4.64 14.67 -60.44 2 5 1 54 486.68 5

Activity (Go SEA)

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