UCSF

ZINC33812994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.41 8.54 -59.57 0 9 -1 112 503.531 8
Mid Mid (pH 6-8) 3.41 11.31 -72.24 1 9 0 114 504.539 8
Lo Low (pH 4.5-6) 3.41 10.49 -56.67 2 9 1 111 505.547 8

Activity (Go SEA)

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