UCSF

ZINC08996579

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 3.87 8.2 -54.13 0 7 -1 82 504.39 8
Mid Mid (pH 6-8) 3.28 10.26 -51.05 1 7 1 77 506.406 8
Mid Mid (pH 6-8) 4.31 9.26 -46.88 2 7 1 81 506.406 7
Mid Mid (pH 6-8) 3.87 10.53 -76.91 1 7 0 83 505.398 8

Activity (Go SEA)

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