UCSF

ZINC08674077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 31 Yes

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) -5.51 -13.83 -412.3 19 13 5 256 456.561 6
Hi High (pH 8-9.5) -5.51 -13.78 -101.25 16 13 2 251 453.537 6
Hi High (pH 8-9.5) -5.51 -14.92 -114.9 16 13 2 251 453.537 6
Mid Mid (pH 6-8) -5.51 -14.26 -319.43 18 13 4 254 455.553 6
Mid Mid (pH 6-8) -5.51 -13 -271.34 18 13 4 254 455.553 6

Activity (Go SEA)

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