UCSF

ZINC20674643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 38 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) 4.93 14.5 -16.19 1 7 0 74 510.638 8
Mid Mid (pH 6-8) 4.93 16.31 -54.88 2 7 1 75 511.646 8

Activity (Go SEA)

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