UCSF

ZINC34615270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 5.17 7.9 -3.64 0 2 0 16 309.24 3
Mid Mid (pH 6-8) 5.17 10.18 -41.74 1 2 1 17 310.248 3

Activity (Go SEA)

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