UCSF

ZINC08987217

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 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) 5.11 12.46 -53.42 0 7 -1 100 505.478 6
Mid Mid (pH 6-8) 4.52 12.71 -16.22 0 7 0 94 506.486 6
Mid Mid (pH 6-8) 5.11 12.35 -15.56 1 7 0 97 506.486 6

Activity (Go SEA)

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