UCSF

ZINC35005198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 No

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) 1.77 4.83 -62.85 0 9 -1 101 479.509 7
Mid Mid (pH 6-8) 1.77 7.12 -74.45 1 9 0 102 480.517 7
Lo Low (pH 4.5-6) 1.77 6.36 -50.19 2 9 1 99 481.525 7

Activity (Go SEA)

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