UCSF

ZINC34994208

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.15 5.1 -67.69 1 6 -1 96 254.262 6
Lo Low (pH 4.5-6) 0.15 3.88 -17.2 2 6 0 93 255.27 6

Activity (Go SEA)

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