UCSF

ZINC32540653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 20 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) 1.28 5.34 -42.8 3 5 1 73 275.376 3
Lo Low (pH 4.5-6) 1.28 5.66 -89.18 4 5 2 75 276.384 3

Activity (Go SEA)

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