UCSF

ZINC05781653

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 23 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) -0.08 2.24 -19.56 2 8 0 111 334.275 6
Mid Mid (pH 6-8) 0.38 -2.13 -53.97 1 8 -1 114 333.267 6

Activity (Go SEA)

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