UCSF

ZINC38024493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 0.53 5.22 -12.97 1 6 0 80 252.27 6
Hi High (pH 8-9.5) 0.53 3.8 -34.45 1 6 0 84 252.27 6
Mid Mid (pH 6-8) 0.53 6.24 -53.51 0 6 -1 83 251.262 6

Activity (Go SEA)

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