UCSF

ZINC44249373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 0.15 3 -48.59 5 5 1 83 194.262 2
Hi High (pH 8-9.5) 0.15 2.51 -7.23 4 5 0 81 193.254 2
Mid Mid (pH 6-8) 0.15 3.4 -101.56 6 5 2 84 195.27 2

Activity (Go SEA)

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