UCSF

ZINC32916509

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 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) 2.76 5.13 -41.04 2 5 1 54 405.382 7
Hi High (pH 8-9.5) 2.76 2.83 -9.48 1 5 0 53 404.374 7
Mid Mid (pH 6-8) 2.76 5.14 -47.36 2 5 1 54 405.382 7

Activity (Go SEA)

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