UCSF

ZINC37855736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 1.29 2.83 -36.82 4 3 1 60 193.27 5
Mid Mid (pH 6-8) 1.29 1.75 -8.03 3 3 0 55 192.262 5

Activity (Go SEA)

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