UCSF

ZINC32505270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 25 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) 4.04 11.08 -7.77 0 4 0 46 399.288 6
Lo Low (pH 4.5-6) 4.04 11.53 -45.73 1 4 1 48 400.296 6

Activity (Go SEA)

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