UCSF

ZINC35324374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 2.35 8.42 -13.74 1 7 0 75 381.363 3
Lo Low (pH 4.5-6) 2.35 8.88 -51.93 2 7 1 76 382.371 3

Activity (Go SEA)

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