UCSF

ZINC34873365

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 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) 3.29 7.54 -12.29 2 5 0 75 383.451 5
Hi High (pH 8-9.5) 3.29 8.32 -51.25 1 5 -1 78 382.443 5
Lo Low (pH 4.5-6) 3.29 8.03 -45.98 3 5 1 76 384.459 5

Activity (Go SEA)

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