UCSF

ZINC37760161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 17 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) -2.41 0.23 -127.84 2 7 -2 125 238.199 4
Hi High (pH 8-9.5) -2.41 0.84 -91.89 3 7 -1 127 239.207 4
Mid Mid (pH 6-8) -2.41 -0.84 -63.54 3 7 -1 123 239.207 4

Activity (Go SEA)

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