UCSF

ZINC13748794

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 22 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) 5.18 9.04 -7.81 1 3 0 45 312.369 2
Hi High (pH 8-9.5) 5.64 6.68 -49.36 0 3 -1 48 311.361 2
Hi High (pH 8-9.5) 5.64 7.18 -49.01 0 3 -1 48 311.361 2
Mid Mid (pH 6-8) 4.69 8.81 -40.2 0 3 -1 44 311.361 3
Lo Low (pH 4.5-6) 4.69 9.21 -13.98 1 3 0 42 312.369 3

Activity (Go SEA)

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