UCSF

ZINC02721288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 2.00 6.12 -10.93 1 4 0 47 243.31 5
Mid Mid (pH 6-8) 2.19 4.19 -25.84 2 4 1 52 244.318 5
Mid Mid (pH 6-8) 2.00 6.56 -30.19 2 4 1 48 244.318 5

Activity (Go SEA)

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