UCSF

ZINC35343117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 35 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) 8.41 17.65 -25.84 2 5 1 57 511.473 8
Mid Mid (pH 6-8) 8.41 17.86 -15.56 1 5 0 56 510.465 8
Mid Mid (pH 6-8) 8.41 17.71 -25.42 2 5 0 60 511.473 8
Lo Low (pH 4.5-6) 8.41 17.88 -36.47 3 5 0 61 512.481 8

Activity (Go SEA)

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