UCSF

ZINC33813458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 2.36 14.05 -66.58 0 9 -1 120 517.653 10
Lo Low (pH 4.5-6) 2.36 10.12 -25.29 1 9 0 118 518.661 10

Activity (Go SEA)

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