UCSF

ZINC35700328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 0.20 3.5 -42 2 5 1 53 266.365 4
Hi High (pH 8-9.5) 0.20 2.14 -8.97 1 5 0 49 265.357 4

Activity (Go SEA)

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