UCSF

ZINC34872068

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 No

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) 2.99 7.18 -19.42 1 7 0 102 327.292 4
Mid Mid (pH 6-8) 2.99 8.19 -48.04 0 7 -1 104 326.284 4

Activity (Go SEA)

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