UCSF

ZINC32845528

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 25 No

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) 3.08 9.83 -58.8 0 7 -1 98 343.359 6
Mid Mid (pH 6-8) 3.08 8.8 -19.45 1 7 0 96 344.367 6

Activity (Go SEA)

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