UCSF

ZINC36619643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 No

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) 1.54 7.5 -69.42 3 8 0 134 381.388 6
Hi High (pH 8-9.5) 1.54 7.26 -55.62 2 8 -1 132 380.38 6
Lo Low (pH 4.5-6) 1.54 6.75 -65.62 4 8 1 131 382.396 6

Activity (Go SEA)

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