UCSF

ZINC37844986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.11 6.61 -49.56 2 3 1 34 372.23 5
Mid Mid (pH 6-8) 3.11 4.29 -10.58 1 3 0 32 371.222 5

Activity (Go SEA)

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