UCSF

ZINC32228989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.48 8.21 -51.36 1 5 -1 78 312.345 6
Lo Low (pH 4.5-6) 3.48 7.09 -14.64 2 5 0 76 313.353 6

Activity (Go SEA)

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