UCSF

ZINC61722027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 26 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) 1.76 6.73 -57.67 0 7 -1 82 359.402 4
Mid Mid (pH 6-8) 1.76 8.95 -70.19 1 7 0 83 360.41 4
Lo Low (pH 4.5-6) 1.76 6.97 -52.54 2 7 1 81 361.418 4

Activity (Go SEA)

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