UCSF

ZINC32604196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 22 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) 4.24 7.13 -43.62 0 4 -1 61 394.295 4
Mid Mid (pH 6-8) 4.24 6.75 -10.03 1 4 0 59 395.303 4

Activity (Go SEA)

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