UCSF

ZINC09359590

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 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) 2.90 10.4 -58.85 0 7 -1 95 476.512 8
Mid Mid (pH 6-8) 3.35 10.74 -15.86 1 7 0 93 477.52 7
Lo Low (pH 4.5-6) 3.35 11.05 -43.64 2 7 1 94 478.528 7
Lo Low (pH 4.5-6) 3.35 11.04 -48.98 2 7 1 94 478.528 7
Lo Low (pH 4.5-6) 3.35 11.33 -117.88 3 7 2 95 479.536 7

Activity (Go SEA)

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