UCSF

ZINC33375299

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 37 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) 5.03 14.06 -49.25 1 7 0 83 506.643 13
Hi High (pH 8-9.5) 5.03 11.83 -40.42 0 7 -1 82 505.635 13
Lo Low (pH 4.5-6) 5.03 12.92 -51.04 2 7 1 81 507.651 13

Activity (Go SEA)

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