UCSF

ZINC34959757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) -0.66 6.52 -74.99 1 6 0 68 243.307 4
Mid Mid (pH 6-8) -0.66 4.31 -53.93 0 6 -1 67 242.299 4

Activity (Go SEA)

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