UCSF

ZINC36163023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 1.20 2.45 -14.82 2 8 0 106 406.508 3
Hi High (pH 8-9.5) 2.10 0.31 -52.36 1 8 -1 109 405.5 3
Mid Mid (pH 6-8) 2.06 4.9 -204.23 3 8 3 104 407.516 3
Mid Mid (pH 6-8) 1.20 4.59 -58.93 3 8 1 108 407.516 3

Activity (Go SEA)

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