UCSF

ZINC34674241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 19 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) 0.19 6.05 -45.16 1 5 1 52 267.397 7
Hi High (pH 8-9.5) 0.19 3.78 -11.86 0 5 0 51 266.389 7
Mid Mid (pH 6-8) 0.19 6.06 -47.36 1 5 1 52 267.397 7

Activity (Go SEA)

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