UCSF

ZINC34984591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 40 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) 8.05 18.03 -17.43 2 7 0 81 528.66 7
Lo Low (pH 4.5-6) 8.05 18.76 -74.45 4 7 2 83 530.676 7
Lo Low (pH 4.5-6) 8.05 18.88 -77.06 4 7 2 83 530.676 7

Activity (Go SEA)

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