UCSF

ZINC36126144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.21 4.96 -43.42 1 5 1 41 280.392 4
Hi High (pH 8-9.5) 1.21 2.59 -7.82 0 5 0 40 279.384 4
Lo Low (pH 4.5-6) 1.21 7.13 -113.18 2 5 2 42 281.4 4

Activity (Go SEA)

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