UCSF

ZINC44243428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 1.42 2.03 -45.32 0 6 -1 87 317.144 3
Lo Low (pH 4.5-6) 1.42 2.04 -12.13 1 6 0 85 318.152 3

Activity (Go SEA)

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