UCSF

ZINC33813845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 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) 3.40 10.43 -58.75 0 7 -1 91 429.481 4
Lo Low (pH 4.5-6) 3.40 10.57 -21.97 1 7 0 88 430.489 4

Activity (Go SEA)

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