UCSF

ZINC44243330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.79 0.46 -10.52 2 5 0 79 343.202 4
Hi High (pH 8-9.5) 1.79 0.07 -39.44 1 5 -1 81 342.194 4

Activity (Go SEA)

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