UCSF

ZINC34933336

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.11 8.31 -78.74 2 7 0 94 438.524 10
Lo Low (pH 4.5-6) 3.11 7.56 -51.57 3 7 1 92 439.532 10

Activity (Go SEA)

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