UCSF

ZINC35143434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 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) 1.95 8.46 -31.89 1 2 1 19 173.239 2
Mid Mid (pH 6-8) 1.95 7.65 -6.57 0 2 0 18 172.231 2

Activity (Go SEA)

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