UCSF

ZINC35221985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) -0.18 1.5 -41.49 4 7 1 95 242.303 7
Mid Mid (pH 6-8) 0.28 -0.17 -54.39 3 7 0 98 241.295 7

Activity (Go SEA)

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