UCSF

ZINC31903428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 6.60 14.43 -11.89 0 4 0 36 420.94 9
Lo Low (pH 4.5-6) 6.60 14.82 -36.4 1 4 1 38 421.948 9

Activity (Go SEA)

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