UCSF

ZINC06296666

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 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) 1.89 5.98 -20.14 2 8 0 109 441.509 8
Mid Mid (pH 6-8) 3.19 5.81 -53.71 1 8 -1 112 440.501 8

Activity (Go SEA)

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