UCSF

ZINC02578931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 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) 3.24 7.9 -43.4 0 2 -1 40 171.26 7
Lo Low (pH 4.5-6) 3.24 5.92 -5.04 1 2 0 37 172.268 7

Activity (Go SEA)

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