UCSF

ZINC33774809

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.16 8.37 -53.15 0 8 -1 101 439.488 11
Lo Low (pH 4.5-6) 2.16 7.08 -19.32 1 8 0 98 440.496 11

Activity (Go SEA)

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