UCSF

ZINC38537706

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.43 7.49 -84.8 2 3 2 22 193.294 1
Hi High (pH 8-9.5) 1.43 4.66 -4.93 0 3 0 19 191.278 1
Hi High (pH 8-9.5) 1.43 5.12 -27.25 1 3 1 21 192.286 1
Mid Mid (pH 6-8) 1.43 7.02 -35.08 1 3 1 21 192.286 1

Activity (Go SEA)

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