UCSF

ZINC44830642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.03 5.09 -8.49 2 5 0 62 312.464 5
Lo Low (pH 4.5-6) 1.03 5.54 -31.93 3 5 1 64 313.472 5

Activity (Go SEA)

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