UCSF

ZINC25262064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 30 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) 3.84 7.43 -59.51 2 6 1 57 435.972 10
Mid Mid (pH 6-8) 3.84 6.08 -8.97 1 6 0 52 434.964 10
Lo Low (pH 4.5-6) 3.84 9.62 -143.32 3 6 2 58 436.98 10

Activity (Go SEA)

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