UCSF

ZINC36899299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.22 8.95 -49.3 3 4 1 48 251.329 5
Hi High (pH 8-9.5) 2.22 6.83 -7.79 2 4 0 47 250.321 5
Mid Mid (pH 6-8) 2.22 9.41 -97.6 4 4 2 50 252.337 5

Activity (Go SEA)

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