UCSF

ZINC01432257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 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) 2.50 4.01 -36.18 0 5 -1 82 223.595 1
Lo Low (pH 4.5-6) 2.50 3.24 -7.32 1 5 0 79 224.603 1

Activity (Go SEA)

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