UCSF

ZINC48948469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 1.21 7.46 -38.69 1 6 0 72 267.329 4
Hi High (pH 8-9.5) 1.21 7.32 -50.22 0 6 -1 70 266.321 4

Activity (Go SEA)

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