UCSF

ZINC13102942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 23 Yes

CAS Number:

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) 3.48 8.59 -8.05 1 3 0 42 312.457 3
Lo Low (pH 4.5-6) 3.48 9.05 -42.49 2 3 1 43 313.465 3

Activity (Go SEA)

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