UCSF

ZINC08996277

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) 2.42 7.88 -64.41 0 8 -1 101 459.478 8
Mid Mid (pH 6-8) 2.86 7.83 -15.38 1 8 0 98 460.486 7
Lo Low (pH 4.5-6) 2.86 8.12 -42.72 2 8 1 99 461.494 7

Activity (Go SEA)

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