UCSF

ZINC45284063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 38 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) -1.90 -2.05 -379.4 17 12 5 216 533.698 18
Hi High (pH 8-9.5) -1.90 -5.12 -94.5 14 12 2 205 530.674 18
Hi High (pH 8-9.5) -1.90 -4.74 -165.74 15 12 3 207 531.682 18
Mid Mid (pH 6-8) -1.90 -3.38 -244.56 16 12 4 211 532.69 18
Lo Low (pH 4.5-6) -1.90 -0.72 -521.3 18 12 6 220 534.706 18

Activity (Go SEA)

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