UCSF

ZINC57477198

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 30 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) 3.70 9.35 -9.6 1 7 0 71 406.486 5
Mid Mid (pH 6-8) 3.70 9.16 -45.31 2 7 1 72 407.494 5

Activity (Go SEA)

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