UCSF

ZINC42782098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 3.22 4.47 -39.7 3 2 1 31 241.321 7
Lo Low (pH 4.5-6) 3.22 5.91 -116.06 4 2 2 32 242.329 7

Activity (Go SEA)

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