UCSF

ZINC00000617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 1.97 5.55 -42.41 0 2 -1 25 237.373 2
Mid Mid (pH 6-8) 1.97 6.25 -13.49 1 2 0 27 238.381 2
Mid Mid (pH 6-8) 1.97 5.64 -7.99 1 2 0 27 238.381 2
Lo Low (pH 4.5-6) 1.01 5.89 -30.97 2 2 1 26 239.389 3

Activity (Go SEA)

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