UCSF

ZINC36170696

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.03 5.35 -47.51 0 5 -1 64 255.338 6
Mid Mid (pH 6-8) 1.03 7.72 -70.35 1 5 0 65 256.346 6
Lo Low (pH 4.5-6) 1.03 5.75 -43.11 2 5 1 62 257.354 6

Activity (Go SEA)

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