UCSF

ZINC19883533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 1.41 3.9 -59.32 0 7 -1 86 387.437 6
Mid Mid (pH 6-8) 1.41 6.25 -69.08 1 7 0 87 388.445 6
Lo Low (pH 4.5-6) 1.41 5.43 -49.55 2 7 1 84 389.453 6

Activity (Go SEA)

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