UCSF

ZINC06380875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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) 3.19 8.63 -67.74 0 6 -1 79 406.458 7
Lo Low (pH 4.5-6) 3.19 7.86 -17.22 1 6 0 76 407.466 7

Activity (Go SEA)

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