UCSF

ZINC35340540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 3.14 4.71 -5.82 3 3 0 51 229.327 4
Mid Mid (pH 6-8) 3.14 5.2 -28.8 4 3 1 52 230.335 4

Activity (Go SEA)

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