UCSF

ZINC14749622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 32 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) 3.14 6.88 -17.24 3 9 0 115 446.548 11
Lo Low (pH 4.5-6) 3.14 7.15 -43.56 4 9 1 116 447.556 11

Activity (Go SEA)

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