UCSF

ZINC34989544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.25 7.08 -40.43 1 2 1 22 243.124 3
Mid Mid (pH 6-8) 2.25 4.69 -7.95 0 2 0 20 242.116 3

Activity (Go SEA)

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