UCSF

ZINC42616201

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 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) 0.64 5.47 -42.49 3 3 1 40 263.405 8
Hi High (pH 8-9.5) 0.64 4.83 -2.2 2 3 0 38 262.397 8
Mid Mid (pH 6-8) 0.64 7.19 -33.54 3 3 1 40 263.405 8
Lo Low (pH 4.5-6) 0.64 7.51 -127.26 4 3 2 41 264.413 8

Activity (Go SEA)

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