UCSF

ZINC37393602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 0.05 0.44 -44.72 4 5 1 69 258.386 7
Hi High (pH 8-9.5) 0.05 0.16 -7.14 3 5 0 68 257.378 7
Mid Mid (pH 6-8) 0.05 2.71 -95.71 5 5 2 70 259.394 7

Activity (Go SEA)

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