UCSF

ZINC33776149

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) 3.84 10.81 -53.42 0 7 -1 95 448.524 9
Lo Low (pH 4.5-6) 3.84 9.51 -20.13 1 7 0 93 449.532 9

Activity (Go SEA)

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