UCSF

ZINC36353951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 3.26 8.75 -10.85 1 5 0 74 393.244 2
Ref Reference (pH 7) 3.07 11.4 -11.55 1 5 0 71 393.244 2
Mid Mid (pH 6-8) 3.07 11.86 -52.64 2 5 1 72 394.252 2

Activity (Go SEA)

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