UCSF

ZINC28244435

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 1.69 9.2 -18.88 1 7 0 78 360.421 3
Mid Mid (pH 6-8) 1.69 9.64 -43.26 2 7 1 79 361.429 3

Activity (Go SEA)

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