UCSF

ZINC33525704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 4.12 13.76 -49.8 0 7 -1 106 427.436 7
Lo Low (pH 4.5-6) 4.12 12.47 -19.81 1 7 0 103 428.444 7

Activity (Go SEA)

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