UCSF

ZINC08837604

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

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) 2.80 10.71 -75.73 1 9 0 120 439.468 8
Hi High (pH 8-9.5) 2.80 8.18 -54.88 0 9 -1 119 438.46 8
Mid Mid (pH 6-8) 2.22 1.79 -55.59 1 9 1 113 440.476 8

Activity (Go SEA)

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