UCSF

ZINC08583150

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2007 30 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) 6.14 11.35 -12.78 1 4 0 51 436.964 5
Mid Mid (pH 6-8) 6.21 10.08 -36.19 2 4 1 56 437.972 5

Activity (Go SEA)

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