UCSF

ZINC03852618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 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) 0.54 5.3 -21.36 2 7 0 96 221.22 4
Lo Low (pH 4.5-6) 0.54 4.95 -55.4 3 7 1 95 222.228 4

Activity (Go SEA)

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