UCSF

ZINC33829038

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 2.74 10.73 -41.18 1 6 1 60 369.489 4
Mid Mid (pH 6-8) 2.74 10.34 -15.13 0 6 0 59 368.481 4

Activity (Go SEA)

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