UCSF

ZINC45662603

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.41 3.23 -40.26 3 4 1 53 253.366 3
Lo Low (pH 4.5-6) 1.41 4.93 -114.89 4 4 2 54 254.374 3

Activity (Go SEA)

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