UCSF

ZINC27646983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 22 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) 8.10 14.54 -45.3 0 2 -1 40 307.498 16
Lo Low (pH 4.5-6) 8.10 13.42 -7.1 1 2 0 37 308.506 16

Activity (Go SEA)

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