UCSF

ZINC12496591

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 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) -5.09 -1.68 -131.07 12 14 1 253 457.512 14
Hi High (pH 8-9.5) -5.14 -1.86 -114.72 11 14 0 254 456.504 13
Mid Mid (pH 6-8) -5.09 -2.07 -83.18 11 14 0 251 456.504 14

Activity (Go SEA)

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