UCSF

ZINC02954991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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) 3.86 6.08 -32.93 3 7 1 99 434.447 5
Lo Low (pH 4.5-6) 3.86 -2.32 -40.95 3 7 1 98 434.447 5

Activity (Go SEA)

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