UCSF

ZINC13571203

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) 3.30 10.15 -13.26 1 5 0 66 361.445 4
Hi High (pH 8-9.5) 3.76 8.36 -49.93 0 5 -1 69 360.437 4

Activity (Go SEA)

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