UCSF

ZINC43170403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 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) 3.70 8.92 -50.37 2 7 -1 114 433.532 4
Lo Low (pH 4.5-6) 3.70 6.93 -12.17 3 7 0 111 434.54 4

Activity (Go SEA)

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