UCSF

ZINC34652624

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) -1.20 5.92 -20.14 0 5 0 62 192.222 4
Mid Mid (pH 6-8) -1.20 6.43 -44.44 1 5 1 63 193.23 4

Activity (Go SEA)

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