UCSF

ZINC09329061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 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) 2.30 9.51 -59.11 0 8 -1 103 437.472 8
Lo Low (pH 4.5-6) 2.30 8.49 -17.95 1 8 0 100 438.48 8

Activity (Go SEA)

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