UCSF

ZINC34989060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.95 6.85 -13.04 0 4 0 41 288.391 3
Lo Low (pH 4.5-6) 1.95 9.13 -49.56 1 4 1 42 289.399 3

Activity (Go SEA)

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