UCSF

ZINC03937375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 17 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) 1.82 -2.7 -36.2 1 3 1 20 230.335 1
Lo Low (pH 4.5-6) 1.82 -2.59 -82.03 2 3 2 21 231.343 1

Activity (Go SEA)

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