UCSF

ZINC01882589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 Yes

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) 4.93 7.94 -6.87 1 4 0 39 361.489 3
Lo Low (pH 4.5-6) 4.93 8.72 -24.91 2 4 0 40 362.497 3
Lo Low (pH 4.5-6) 4.74 11.56 -25.13 2 4 0 37 362.497 3

Activity (Go SEA)

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