UCSF

ZINC35123342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 1.13 5.19 -58.04 1 5 -1 78 242.295 5
Lo Low (pH 4.5-6) 1.13 3.16 -10.58 2 5 0 76 243.303 5

Activity (Go SEA)

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