UCSF

ZINC33762642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 0.93 6.07 -54.36 1 9 -1 129 437.457 6
Lo Low (pH 4.5-6) 0.93 4.78 -25.11 2 9 0 126 438.465 6

Activity (Go SEA)

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