UCSF

ZINC34981223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.13 6.25 -113.35 3 5 2 60 242.319 8
Hi High (pH 8-9.5) 1.13 4.9 -39.58 2 5 1 56 241.311 8
Mid Mid (pH 6-8) 1.13 3.77 -49.58 2 5 1 59 241.311 8

Activity (Go SEA)

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