UCSF

ZINC34994822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.37 7.13 -108.14 3 4 2 43 264.369 7
Hi High (pH 8-9.5) 2.37 5.78 -39.19 2 4 1 39 263.361 7
Mid Mid (pH 6-8) 2.37 4.65 -45.61 2 4 1 42 263.361 7

Activity (Go SEA)

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