UCSF

ZINC45693722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.42 2.72 -41.19 3 5 1 59 281.376 7
Mid Mid (pH 6-8) 2.42 3.55 -39.93 3 5 1 55 281.376 7
Lo Low (pH 4.5-6) 2.42 4.63 -121.47 4 5 2 60 282.384 7

Activity (Go SEA)

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