UCSF

ZINC44242094

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) 1.53 6.27 -63.07 1 4 0 33 242.373 2
Mid Mid (pH 6-8) 1.53 3.91 -40.8 0 4 -1 32 241.365 2

Activity (Go SEA)

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