UCSF

ZINC20434445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) -0.31 -0.58 -39.21 3 5 1 60 242.343 3
Hi High (pH 8-9.5) -0.31 -1.88 -9.59 2 5 0 56 241.335 3
Mid Mid (pH 6-8) -0.31 1.74 -94.81 4 5 2 62 243.351 3

Activity (Go SEA)

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