UCSF

ZINC36777302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 0.29 4.59 -49.21 3 4 1 61 256.329 4
Hi High (pH 8-9.5) 0.29 4.18 -10.32 2 4 0 59 255.321 4
Lo Low (pH 4.5-6) 0.29 5.1 -84.59 4 4 2 62 257.337 4

Activity (Go SEA)

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