UCSF

ZINC41681103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 No

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) 2.71 8.24 -88.04 5 4 2 57 310.511 8
Mid Mid (pH 6-8) 2.71 7.93 -42.12 4 4 1 55 309.503 8

Activity (Go SEA)

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