UCSF

ZINC35123060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 2.50 8.1 -61.05 1 4 -1 69 266.361 3
Mid Mid (pH 6-8) 2.50 6.84 -10.11 2 4 0 66 267.369 3

Activity (Go SEA)

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