UCSF

ZINC35179800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) -0.04 1.49 -41.82 4 7 1 95 242.303 5
Mid Mid (pH 6-8) 0.42 -0.2 -57.31 3 7 0 98 241.295 5

Activity (Go SEA)

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