UCSF

ZINC32667575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 26 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) 3.17 9.16 -55.61 0 5 -1 63 370.429 3
Lo Low (pH 4.5-6) 2.71 10.23 -14.82 1 5 0 60 371.437 3

Activity (Go SEA)

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