UCSF

ZINC34992153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.74 6.56 -42.82 3 2 1 37 307.211 4
Mid Mid (pH 6-8) 3.74 5.55 -4.69 2 2 0 32 306.203 4

Activity (Go SEA)

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