UCSF

ZINC34476577

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 Yes

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) 2.51 9.16 -50.18 1 5 -1 82 341.412 7
Lo Low (pH 4.5-6) 2.51 7.18 -12.95 2 5 0 79 342.42 7

Activity (Go SEA)

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