UCSF

ZINC33772630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 4.14 13.09 -53.43 0 6 -1 83 475.524 8
Lo Low (pH 4.5-6) 4.14 11.8 -19.27 1 6 0 80 476.532 8

Activity (Go SEA)

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