UCSF

ZINC58412347

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 2.61 4.29 -13.29 1 6 0 64 406.28 5
Mid Mid (pH 6-8) 2.61 6.71 -49.68 2 6 1 65 407.288 5

Activity (Go SEA)

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