UCSF

ZINC01789480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 25 No

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) 2.79 6.22 -19.02 1 6 0 80 360.435 5
Lo Low (pH 4.5-6) 2.79 7.18 -36.46 2 6 1 81 361.443 5

Activity (Go SEA)

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