UCSF

ZINC37023357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) 2.19 4.12 -11.26 1 3 0 41 193.246 2
Hi High (pH 8-9.5) 2.19 5.04 -56.93 0 3 -1 43 192.238 2

Activity (Go SEA)

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