UCSF

ZINC00623498

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 25 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) 4.80 12.21 -13.56 1 4 0 46 392.256 3
Lo Low (pH 4.5-6) 4.80 12.56 -28.1 2 4 1 48 393.264 3

Activity (Go SEA)

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