UCSF

ZINC34963374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 4.10 13.29 -17.57 0 6 0 57 490.003 6
Lo Low (pH 4.5-6) 4.10 13.75 -54.38 1 6 1 58 491.011 6

Activity (Go SEA)

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