UCSF

ZINC08742368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 26 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) 3.53 3.53 -44.61 1 6 -1 95 390.202 2
Mid Mid (pH 6-8) 3.53 4.3 -98.76 0 6 -2 98 389.194 2
Mid Mid (pH 6-8) 3.53 4.18 -97.37 0 6 -2 98 389.194 2
Lo Low (pH 4.5-6) 3.08 6.02 -12.02 2 6 0 92 391.21 2

Activity (Go SEA)

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