UCSF

ZINC00207130

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 1.32 1.11 -14.47 0 5 0 51 312.369 3
Lo Low (pH 4.5-6) 1.32 1.23 -43.55 1 5 1 52 313.377 3

Activity (Go SEA)

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