UCSF

ZINC37787296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.90 3.06 -14.21 2 5 0 59 238.335 6
Lo Low (pH 4.5-6) 1.90 3.18 -45.24 3 5 1 64 239.343 6

Activity (Go SEA)

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