UCSF

ZINC32116437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 32 No

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) 3.69 9.02 -52.88 0 7 -1 86 447.492 5
Lo Low (pH 4.5-6) 3.24 10.09 -15.21 1 7 0 83 448.5 5

Activity (Go SEA)

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