UCSF

ZINC06359232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 23 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) 4.76 5.99 -8.13 2 3 0 45 326.465 2
Lo Low (pH 4.5-6) 4.76 7.53 -38.32 3 3 1 46 327.473 2

Activity (Go SEA)

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