UCSF

ZINC33780574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.40 11.15 -42.94 0 6 -1 83 427.48 8
Lo Low (pH 4.5-6) 3.40 10.02 -16.67 1 6 0 80 428.488 8

Activity (Go SEA)

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