UCSF

ZINC36318152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 2.26 6.53 -46.45 2 5 1 50 363.272 3
Hi High (pH 8-9.5) 2.26 5.18 -8.17 1 5 0 45 362.264 3
Lo Low (pH 4.5-6) 2.26 6.99 -99.99 3 5 2 51 364.28 3

Activity (Go SEA)

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