UCSF

ZINC34527077

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 3.17 6.49 -48.42 3 4 1 55 318.368 4
Mid Mid (pH 6-8) 3.17 5.2 -7.81 2 4 0 51 317.36 4

Activity (Go SEA)

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