UCSF

ZINC33767548

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) 2.53 9.41 -51.41 0 7 -1 99 427.465 4
Lo Low (pH 4.5-6) 2.53 8.12 -20.55 1 7 0 96 428.473 4

Activity (Go SEA)

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