UCSF

ZINC50269852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 15 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) 0.30 1.98 -127.33 5 4 2 63 212.293 5
Mid Mid (pH 6-8) 0.30 0.19 -45.59 4 4 1 58 211.285 5

Activity (Go SEA)

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