UCSF

ZINC44257366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 1.08 1.81 -41.01 2 6 1 67 378.316 6
Hi High (pH 8-9.5) 1.08 -0.55 -8.81 1 6 0 66 377.308 6
Mid Mid (pH 6-8) 1.08 1.71 -45.62 2 6 1 67 378.316 6

Activity (Go SEA)

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