UCSF

ZINC35733960

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) 3.26 8.93 -32.53 2 4 0 66 256.305 4
Mid Mid (pH 6-8) 3.26 8.64 -60.1 1 4 -1 65 255.297 4

Activity (Go SEA)

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