UCSF

ZINC06653573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 21 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) 4.18 9.31 -8.22 1 2 0 29 293.391 4
Lo Low (pH 4.5-6) 4.24 7.8 -32.19 2 2 1 34 294.399 4

Activity (Go SEA)

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