UCSF

ZINC02536904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 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) 4.01 7.24 -37.64 0 3 -1 45 312.395 3
Lo Low (pH 4.5-6) 3.56 8.32 -9.45 1 3 0 42 313.403 3

Activity (Go SEA)

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