UCSF

ZINC33010321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 29 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) 4.64 9.4 -49.15 1 6 -1 85 408.865 4
Mid Mid (pH 6-8) 4.64 9.64 -43.04 2 6 0 87 409.873 4

Activity (Go SEA)

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