UCSF

ZINC35871540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 4.15 9.97 -42.55 2 5 1 46 440.53 6
Mid Mid (pH 6-8) 4.15 7.56 -8.63 1 5 0 45 439.522 6

Activity (Go SEA)

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