UCSF

ZINC70188118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 1.31 7.12 -178.29 5 3 3 37 242.431 5
Mid Mid (pH 6-8) 1.31 4.88 -82.63 4 3 2 35 241.423 5
Mid Mid (pH 6-8) 1.31 4.9 -93.15 4 3 2 35 241.423 5

Activity (Go SEA)

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