UCSF

ZINC34966997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.58 9.01 -13.74 0 5 0 60 432.246 2
Lo Low (pH 4.5-6) 3.58 9.47 -44.13 1 5 1 61 433.254 2

Activity (Go SEA)

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