UCSF

ZINC00000436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 2.02 6.05 -42.97 0 2 -1 25 251.4 2
Mid Mid (pH 6-8) 2.02 6.73 -14.46 1 2 0 27 252.408 2
Mid Mid (pH 6-8) 2.02 6.21 -7.72 1 2 0 27 252.408 2
Lo Low (pH 4.5-6) 1.07 6.94 -34.14 2 2 1 26 253.416 3
Lo Low (pH 4.5-6) 1.07 6.58 -8.5 1 2 0 25 252.408 3

Activity (Go SEA)

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