UCSF

ZINC49825871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.12 1.34 -38.46 3 4 1 54 243.249 8
Hi High (pH 8-9.5) 1.12 -0.72 -9.42 2 4 0 53 242.241 8

Activity (Go SEA)

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