UCSF

ZINC13801677

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 32 No

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 5.29 -99.86 0 10 -2 143 438.392 8
Ref Reference (pH 7) 1.42 5.16 -99.26 0 10 -2 143 438.392 8
Lo Low (pH 4.5-6) 0.96 7.83 -57.8 1 10 -1 140 439.4 8

Activity (Go SEA)

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