UCSF

ZINC37174648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 No

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) 2.21 4.18 -51.26 3 2 1 31 322.317 4
Hi High (pH 8-9.5) 2.21 3.52 -3.16 2 2 0 29 321.309 4

Activity (Go SEA)

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