UCSF

ZINC19892025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 38 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) 2.65 6.68 -27.99 3 10 0 117 518.618 10
Mid Mid (pH 6-8) 2.65 7.06 -43.03 4 10 1 118 519.626 10
Lo Low (pH 4.5-6) 2.65 9.39 -106.12 5 10 2 119 520.634 10

Activity (Go SEA)

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