UCSF

ZINC36980279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.30 5.72 -50.31 3 5 1 72 361.256 8
Hi High (pH 8-9.5) 3.30 5.54 -49.33 1 5 -1 71 359.24 8
Mid Mid (pH 6-8) 3.30 4.62 -10.16 2 5 0 68 360.248 8

Activity (Go SEA)

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