UCSF

ZINC17975744

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 18 No

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) 1.94 4.57 -9.75 1 4 0 58 243.262 1
Ref Reference (pH 7) 1.94 4.57 -10.22 1 4 0 58 243.262 1
Hi High (pH 8-9.5) 1.94 5.31 -54.11 0 4 -1 60 242.254 1

Activity (Go SEA)

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