UCSF

ZINC40878258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.54 5.21 -5.18 1 3 0 36 242.75 4
Lo Low (pH 4.5-6) 2.54 5.19 -28.12 2 3 1 38 243.758 4

Activity (Go SEA)

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