UCSF

ZINC32817039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 25 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) 1.27 8.74 -49.14 2 5 1 54 344.479 5
Mid Mid (pH 6-8) 1.27 6.42 -13.02 1 5 0 53 343.471 5

Activity (Go SEA)

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